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At least 127 records · Page 7

The liquid-vapor interface of a binary liquid mixture near the consolute point

The present investigation is concerned with measurements of the reflectance of polarized light by the liquid-vapor interface above liquid mixtures of a fluorocarbon and an alcohol in the vicinity of the consolute point of the liquid mixture. The denser fluorocarbon is preferentially adsorbed at the interface. The denser fluorocarbon is preferentially adsorbed at the interface. The data are consistent with a simple model of the dielectric constant vs height profile in the interface region. Liquid mixtures of isopropanol (i-C3H7OH) and perfluoromethylcyclohexane (C7F14) near their consolute point (Tc = 363 K) are utilized in the conducted experiments. The primary quantity measured is the ellipticity as a function of temperature and liquid composition. Attention is given to details regarding the experimental techniques, model dielectric constant profiles, and the calculation of the ellipticity.

Schmidt, J. W.↗

THE ROLE OF PEBBLE FRAGMENTATION IN PLANETESIMAL FORMATION. II. NUMERICAL SIMULATIONS

Some scenarios for planetesimal formation go through a phase of collapse of gravitationally bound clouds of millimeter- to centimeter-size pebbles. Such clouds can form, for example, through the streaming instability in protoplanetary disks. We model the collapse process with a statistical model to obtain the internal structure of planetesimals with solid radii between 10 and 1000 km. During the collapse, pebbles collide, and depending on their relative speeds, collisions have different outcomes. A mixture of particle sizes inside a planetesimal leads to better packing capabilities and higher densities. In this paper we apply results from new laboratory experiments of dust aggregate collisions (presented in a companion paper) to model collision outcomes. We find that the internal structure of a planetesimal is strongly dependent on both its mass and the applied fragmentation model. Low-mass planetesimals have no/few fragmenting pebble collisions in the collapse phase and end up as porous pebble piles. The number of fragmenting collisions increases with increasing cloud mass, resulting in wider particle size distributions and higher density. The collapse is nevertheless “cold” in the sense that collision speeds are damped by the high collision frequency. This ensures that a significant fraction of large pebbles survive the collapse in all but the most massive clouds. Our results are in broad agreement with the observed increase in density of Kuiper Belt objects with increasing size, as exemplified by the recent characterization of the highly porous comet 67P/Churyumov–Gerasimenko.

79 ASTRONOMY AND ASTROPHYSICS↗

Integrated Pulse Detonation Propulsion and Magnetohydrodynamic Power

The prospects for realizing an integrated pulse detonation propulsion and magnetohydrodynamic (MHD) power system are examined. First, energy requirements for direct detonation initiation of various fuel-oxygen and fuel-air mixtures are deduced from available experimental data and theoretical models. Second, the pumping power requirements for effective chamber scavenging are examined through the introduction of a scavenging ratio parameter and a scavenging efficiency parameter. A series of laboratory experiments were carried out to investigate the basic engineering performance characteristics of a pulse detonation-driven MHD electric power generator. In these experiments, stoichiometric oxy-acetylene mixtures seeded with a cesium hydroxide/methanol spray were detonated at atmospheric pressure in a 1-m-long tube having an i.d. of 2.54 cm. Experiments with a plasma diagnostic channel attached to the end of the tube confirmed the attainment of detonation conditions (p2/p1 approximately 34 and D approximately 2,400 m/sec) and enabled the direct measurement of current density and electrical conductivity (approximately = 6 S/m) behind the detonation wave front, In a second set of experiments, a 30-cm-long continuous electrode Faraday channel, having a height of 2.54 cm and a width of 2 cm, was attached to the end of the tube using an area transition duct. The Faraday channel was inserted in applied magnetic fields of 0.6 and 0.95 T, and the electrodes were connected to an active loading circuit to characterize power extraction dependence on load impedance while also simulating higher effective magnetic induction. The experiments indicated peak power extraction at a load impedance between 5 and 10 Omega. The measured power density was in reasonable agreement with a simple electrodynamic model incorporating a correction for near-electrode potential losses. The time-resolved thrust characteristics of the system were also measured, and it was found that the NM interaction exerted a negligible influence on system thrust and that the measured I(sub sp) of the system (200 see) exceeded that computed for an equivalent nozzleless rocket (120 see).

Litchford, Ron J.↗

Sludge Settling Rate Observations and Projections at the Savannah River Site - 13238

Since 2004, sludge batches have included a high percentage of stored sludge generated from the H- modified (HM) process. The slow-settling nature of HM sludge means that the settling is often the major part of the washing tank quiescent period between required pump runs to maintain flammability control. Reasonable settling projections are needed to wash soluble salts from sludge in an efficient manner, to determine how much sludge can be washed in a batch within flammability limits, and to provide composition projections for batch qualification work done in parallel with field preparation. Challenges to providing reasonably accurate settling projections include (1) large variations in settling behavior from tank-to-tank, (2) accounting for changing initial concentrations, sludge masses, and combinations of different sludge types, (3) changing the settling behavior upon dissolving some sludge compounds, and (4) sludge preparation schedules that do not allow for much data collection for a particular sludge before washing begins. Scaling from laboratory settling tests has provided inconsistent results. Several techniques have been employed to improve settling projections and therefore the overall batch preparation efficiency. Before any observations can be made on a particular sludge mixture, projections can only be made based on historical experience with similar sludge types. However, scaling techniques can be applied to historical settling models to account for different sludge masses, concentrations, and even combinations of types of sludge. After sludge washing/settling cycles begin, the direct measurement of the sludge height, once generally limited to a single turbidity meter measurement per settle period, is now augmented by examining the temperature profile in the settling tank, to help determine the settled sludge height over time. Recently, a settling model examined at PNNL [1,2,3] has been applied to observed thermocouple and turbidity meter readings to quickly provide settling correlations to project settled heights for other conditions. These tools improve the accuracy and adaptability of short and mid-range planning for sludge batch preparation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental and modeling studies of PR and ND oxalate solubility to high ionic strengths: Insight into actinide(III) oxalates

Actinide oxalates are chemical compounds important to nuclear industry, ranging from actinide separation in waste reprocessing, to production of specialty actinides, and to disposal of high level nuclear waste (HLW) and spent nuclear fuel (SNF). In this study, the solubility constants for Pr 2 (C 2 O 4 ) 3 •10H 2 O and Nd 2 (C 2 O 4 ) 3 •10H 2 O by performing solubility experiments in HNO 3 and mixtures of HNO 3 and H 2 C 2 O 4 at 23.0 ± 0.2 °C have been determined. The targeted starting materials, Pr 2 (C 2 O 4 ) 3 •10H 2 O and Nd 2 (C 2 O 4 ) 3 •10H 2 O, were successfully synthesized at room temperature using PrCl 3 , NdCl 3 and oxalic acid as the source metrials. Then, we utilized the targeted solubility-controlling phases to conduct solubility measurements. There was no phase change over the entire periods of experiments, demonstrating that Pr 2 (C 2 O 4 ) 3 •10H 2 O and Nd 2 (C 2 O 4 ) 3 •10H 2 O were the solubility-controlling phases in our respective experiments. Based on our experimental data, we have developed a thermodynamic model for Pr 2 (C 2 O 4 ) 3 •10H 2 O and Nd 2 (C 2 O 4 ) 3 •10H 2 O in the mixtures of HNO 3 and H 2 C 2 O 4 to high ionic strengths. The model for Pr 2 (C 2 O 4 ) 3 •10H 2 O reproduces well the reported experimental data for Pu 2 (C 2 O 4 ) 3 •10H 2 O, which are not utilized for the model development, demonstrating that Pr(III) is an excellent analog for Pu(III). Similarly, the model for Nd 2 (C 2 O 4 ) 3 •10H 2 O reproduces the solubility of Am 2 (C 2 O 4 ) 3 •10H 2 O and Cm 2 (C 2 O 4 ) 3 •10H 2 O. The Pitzer model was used for the calculation of activity coefficients. Based on the published, well established model for dissociation constants for oxalic acid and stability constants for actinide-oxalate complexes [i.e., AmC 2 O 4 + , and Am(C 2 O 4 ) 2 - ] to high ionic strengths, we have obtained the solubility constants (log 10 K 0 ) for the following reactions at 25 °C, Pr 2 (C 2 O 4 ) 3 •10H 2 O ⇌ 2Pr 3+ + 3C 2 O 4 2- + 10H 2 O(l). Nd 2 (C 2 O 4 ) 3 •10H 2 O ⇌ 2Nd 3+ + 3C 2 O 4 2- + 10H 2 O(l). to be -30.82 ± 0.30 (2σ), and - 31.14 ± 0.35 (2σ), respectively. These values for can be directly applied to Pu 2 (C 2 O 4 ) 3 •10H 2 O, Am 2 (C 2 O 4 ) 3 •10H 2 O and Cm 2 (C 2 O 4 ) 3 •10H 2 O. The model established for actinide oxalates by this study provides the needed knowledge with regard to solubilities of actinide/REE oxalates at various ionic strengths, and is expected to find applications in many fields, including the geological disposal of nuclear waste and the mobility of REE under the surface conditions, as Pr 2 (C 2 O 4 ) 3 •10H 2 O and Nd 2 (C 2 O 4 ) 3 •10H 2 O can be regarded as the pure Pr and Nd end-members of deveroite, a recently discovered natural REE oxalate with the following stoichiometry, (Ce 1.01 Nd 0.33 La 0.32 Pr 0.11 Y 0.11 Sm 0.01 Pb 0.04 U 0.03 Th 0.01 Ca 0.04 ) 2.01 (C 2 O 4 ) 2.99 •9.99H 2 O. Regarding its importance in the geological disposal of nuclear waste, Am 2 (C 2 O 4 ) 3 •10H 2 O/Pu 2 (C 2 O 4 ) 3 •10H 2 O/Cm 2 (C 2 O 4 ) 3 •10H 2 O can be the source-term phase for actinides, as demonstrated by the instance in the disposal in clay/shale formations. This is exemplified by the stability of Am 2 (C 2 O 4 ) 3 •10H 2 O in comparison with Am(OH) 3 (am), Am(OH) 3 (s) and AmCO 3 (OH)(s) under the relevant geological repository conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Pulse Detonation Propulsion and Magnetohydrodynamic Power

The prospects for realizing an integrated pulse detonation propulsion and magnetohydrodynamic (MHD) power system are examined. First, energy requirements for direct detonation initiation of various fuel-oxygen and fuel-air mixtures are deduced from available experimental data and theoretical models. Second, the pumping power requirements for effective chamber scavenging are examined through the introduction of a scavenging ratio parameter and a scavenging efficiency parameter. A series of laboratory experiments were carried out to investigate the basic engineering performance characteristics of a pulse detonation-driven MHD electric power generator. In these experiments, stoichiometric oxy-acetylene mixtures seeded with a cesium hydroxide/methanol spray were detonated at atmospheric pressure in a 1-m-long tube having an i.d. of 2.54 cm. Experiments with a plasma diagnostic channel attached to the end of the tube confirmed the attainment of detonation conditions (p(sub 2)/p(sub 1) approx. 34 and D approx. 2,400 m/sec) and enabled the direct measurement of current density and electrical conductivity (=6 S/m) behind the detonation wave front. In a second set of experiments, a 30-cm-long continuous electrode Faraday channel, having a height of 2.54 cm and a width of 2 cm, was attached to the end of the tube using an area transition duct. The Faraday channel was inserted in applied magnetic fields of 0.6 and 0.95 T. and the electrodes were connected to an active loading circuit to characterize power extraction dependence on load impedance while also simulating higher effective magnetic induction. The experiments indicated peak power extraction at a load impedance between 5 and 10 Ohm. The measured power density was in reasonable agreement with a simple electrodynamic model incorporating a correction for near-electrode potential losses. The time-resolved thrust characteristics of the system were also measured, and it was found that the MHD interaction exerted a negligible influence on system thrust and that the measured I(sub sp) of the system (200 sec) exceeded that computed for an equivalent nozzleless rocket (120 sec).

Litchford, R. J.↗

The carbon dioxide chaperon efficiency for the reaction H + O2 + M yields HO2 + M from ignition delay times behind reflected shock waves

Ignition delay times for stoichiometric hydrogen-oxygen in argon with and without carbon dioxide were measured behind reflected shock waves. A 20-reaction kinetic mechanism models the measured hydrogen-oxygen delay times over the temperature range 950 to 1300 K. The chaperon efficiency for carbon dioxide determined for the hydrogen-oxygen carbon dioxide mixture was 7.0. This value is in agreement with literature values but much less than a recent value obtained from flow tube experiments. Delay times measured behind a reflected shock wave were about 20% longer than those measured behind incident shock waves. The kinetic mechanism successfully modeled the high-pressure data of Skinner and the hydrogen-air data of Stack. It is suggested that the lowest temperature points for the hydrogen-air data of Slack are unreliable and that the 0.27-atm data may illustrate a case where vibrational relaxation of nitrogen is important. The reaction pathway HO2 yields H2O2 yields OH yields H was required to model the high-pressure data of Skinner. The successful modeling of the stoichiometric hydrogen-air data demonstrates the appropriateness of deriving kinetic models from data for gas mixtures highly diluted with argon. The technique of reducing a detailed kinetic mechanism to only the important reactions for a limited range of experimental data may render the mechanism useless for other test conditions.

Brabbs, Theodore A.↗

A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications

A mixture of n-dodecane and m-xylene is investigated as a diesel fuel surrogate for compression ignition engine applications. Compared to neat n-dodecane, this binary mixture is more representative of diesel fuel because it contains an alkyl-benzene which represents an important chemical class present in diesel fuels. A detailed multi-component mechanism for n-dodecane and m-xylene was developed by combining a previously developed n-dodecane mechanism with a recently developed mechanism for xylenes. The xylene mechanism is shown to reproduce experimental ignition data from a rapid compression machine and shock tube, speciation data from the jet stirred reactor and flame speed data. This combined mechanism was validated by comparing predictions from the model with experimental data for ignition in shock tubes and for reactivity in a flow reactor. The combined mechanism, consisting of 2885 species and 11754 reactions, was reduced to a skeletal mechanism consisting 163 species and 887 reactions for 3D diesel engine simulations. The mechanism reduction was performed using directed relation graph (DRG) with expert knowledge (DRG-X) and DRG-aided sensitivity analysis (DRGASA) at a fixed fuel composition of 77% of n-dodecane and 23% m-xylene by volume. The sample space for the reduction covered pressure of 1 – 80 bar, equivalence ratio of 0.5 – 2.0, and initial temperature of 700 – 1600 K for ignition. The skeletal mechanism was compared with the detailed mechanism for ignition and flow reactor predictions. Finally, the skeletal mechanism was validated against a spray flame dataset under diesel engine conditions documented on the Engine Combustion Network (ECN) website. These multidimensional simulations were performed using a Representative Interactive Flame (RIF) turbulent combustion model. In conclusion, encouraging results were obtained compared to the experiments with regards to the predictions of ignition delay and lift-off length at different ambient temperatures.

30 DIRECT ENERGY CONVERSION↗

Universal adsorption at the vapor-liquid interface near the consolute point

The ellipticity of the vapor-liquid interface above mixtures of methylcyclohexane (C7H14) and perfluoromethylcyclohexane (C7F14) has been measured near the consolute point T(c) = 318.6 K. The data are consistent with a model of the interface that combines a short-ranged density-vs height profile in the vapor phase with a much longer-ranged composition-versus-height profile in the liquid. The value of the free parameter produced by fitting the model to the data is consistent with results from two other simple mixtures and a mixture of a polymer and solvent. This experiment combines precision ellipsometry of the vapor-liquid interface with in situ measurements of refractive indices of the liquid phases, and it precisely locates the consolute point.

Schmidt, James W.↗

Optically pumped carbon dioxide laser mixtures

This work explores the concept of blackbody radiation pumping of CO2 gas as a step toward utilization of solar radiation as a pumping source for laser action. To demonstrate this concept, an experiment was performed in which laser gas mixtures were exposed to 1500 K thermal radiation for brief periods of time. A gain of 2.8 x 10 to the -3rd reciprocal centimeters has been measured at 10.6 microns in a CO2-He gas mixture of 1 Torr pressure. A simple analytical model is used to describe the rate of change of energy of the vibrational modes of CO2 and to predict the gain. Agreement between the prediction and experiment is good.

Yesil, O.↗

Deep Learning Prediction of Interspecies Interactions from Self-organized Spatiotemporal Patterns of Co-evolving Organisms

Microorganisms colonizing natural habits such as soils co-evolve to form specific spatial patterns through interspecies interactions. These self-organized patterns are a key ecological phenotype, which provides critical information on their interaction mechanisms. However, conventional network inference techniques that analyze species population data in bulk have yet to be extended to account for such spatial heterogeneity. Here we proposed supervised deep learning as a new network inference tool for predicting interspecies interactions from spatiotemporal patterns of microbial evolution. Due to lack of biological imaging data that can be used for training deep learning networks, we used in silico data generated from high-fidelity agent-based models to determine model structure and parameters. Even though networks were trained under simple configurations where interaction coefficients are assumed to be spatially invariant, we demonstrated that the resulting model can be utilized to successfully predict spatial variation of interactions in more complex domains (i.e., configured with a context-dependent mixture of interaction coefficients) as well as in simple domains without further training. In the further test against real biological data obtained through imaging experiments of a binary consortium (Pseudomonas fluorescens and a mutant of Escherichia coli), our model also predicted the dramatic shifts in interactions of the two organisms across different environmental contexts. Through various successful demonstrations in this work, the combined use of the agent-based model and machine learning algorithm provides a means to use new type of data - microscopic images - for extracting microbial interactions, therefore presenting itself as a useful tool for the analysis of more complex microbial community interactions.

Lee, Joon-Yong↗

The Potential Benefits of Handling Mixture Statistics via a Bi-Gaussian EnKF: Tests With All-Sky Satellite Infrared Radiances

The meteorological characteristics of cloudy atmospheric columns can be very different from their clear counterparts. Thus, when a forecast ensemble is uncertain about the presence/absence of clouds at a specific atmospheric column (i.e., some members are clear while others are cloudy), that column's ensemble statistics will contain a mixture of clear and cloudy statistics. Such mixtures are inconsistent with the ensemble data assimilation algorithms currently used in numerical weather prediction. Hence, ensemble data assimilation algorithms that can handle such mixtures can potentially outperform currently used algorithms. In this study, we demonstrate the potential benefits of addressing such mixtures through a bi-Gaussian extension of the ensemble Kalman filter (BGEnKF). The BGEnKF is compared against the commonly used ensemble Kalman filter (EnKF) using perfect model observing system simulated experiments (OSSEs) with a realistic weather model (the Weather Research and Forecast model). Synthetic all-sky infrared radiance observations are assimilated in this study. In these OSSEs, the BGEnKF outperforms the EnKF in terms of the horizontal wind components, temperature, specific humidity, and simulated upper tropospheric water vapor channel infrared brightness temperatures. This study is one of the first to demonstrate the potential of a Gaussian mixture model EnKF with a realistic weather model. Our results thus motivate future research toward improving numerical Earth system predictions though explicitly handling mixture statistics.

54 ENVIRONMENTAL SCIENCES↗

As-Run Thermal Analysis for the AGC-4 Experiment Irradiated in the ATR

The Advanced Graphite Capsule (AGC) irradiation experiment will provide irradiation creep rate data for the new graphite proposed for the Next Generation Nuclear Plant (NGNP) program. The fourth experiment in the series (AGC-4) was designed to irradiate various types of graphite specimens at a temperature of 900 ºC and targeted displacements per atom (DPA) of 6. This experiment has been irradiated in the east flux trap of the Advanced Test Reactor (ATR) during the cycles of 157D, 158A, 162A, 162B, 164A, 164B, 166A, and 166B. Temperatures were monitored using twelve thermocouples (TC) located at various elevations in the reactor core, and variable helium-argon gas mixtures were used for gas gap temperature control of the specimens. The purpose of this Engineering Calculation and Analysis Report (ECAR) is to calculate the specimen temperature after the model is calibrated by the measured TC data with the as-run heating rates of the components, DPA of the graphite, and the gas mixture compositions during the experiment. As-run specimen mean temperature and the tolerance will be obtained.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Study of Soil and Duricrust Models for Mars

An analysis of soil and duricrust formation mechanisms on Mars is presented. Soil analog mixtures have been prepared, characterized and tested through wet/dry cycling experiments; results are compared with Mars Pathfinder soil data (spectral, chemical and magnetic). Additional information is contained in the original extended abstract.

Bishop, J. L.↗

Experimental Design for Hanford Low-Activity Waste Glasses with High Waste Loading

This report discusses the development of an experimental design for the initial phase of the Hanford low-activity waste (LAW) enhanced glass study. This report is based on a manuscript written for an applied statistics journal. Appendices A, B, and E include additional information relevant to the LAW enhanced glass experimental design that is not included in the journal manuscript. The glass composition experimental region is defined by single-component constraints (SCCs), linear multiple-component constraints (MCCs), and a nonlinear MCC involving 15 LAW glass components. Traditional methods and software for designing constrained mixture experiments with SCCs and linear MCCs are not directly applicable because of the nonlinear MCC. A modification of existing methodology to account for the nonlinear MCC was developed and is described in this report. One of the glass components, SO 3 , has a solubility limit in glass that depends on the composition of the balance of the glass. A goal was to design the experiment so that SO 3 would not exceed its predicted solubility limit for any of the experimental glasses. The SO 3 solubility limit had previously been modeled by a partial quadratic mixture model expressed in the relative proportions of the 14 other components. The partial quadratic mixture model was used to construct a nonlinear MCC in terms of all 15 components. In addition, there were SCCs and linear MCCs. This report describes how a layered design was generated to (i) account for the SCCs, linear MCCs, and nonlinear MCC and (ii) meet the goals of the study. A layered design consists of points on an outer layer, and inner layer, and a center point. There were 18 outer-layer glasses chosen using optimal experimental design software to augment 147 existing glass compositions that were within the LAW glass composition experimental region. Then 13 inner-layer glasses were chosen with the software to augment the existing and outer-layer glasses. The experimental design was completed by a center-point glass, a Vitreous State Laboratory glass, and replicates of the center point and Vitreous State Laboratory glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Autonomous hybrid optimization of a SiO 2 plasma etching mechanism

Computational modeling of plasma etching processes at the feature scale relevant to the fabrication of nanometer semiconductor devices is critically dependent on the reaction mechanism representing the physical processes occurring between plasma produced reactant fluxes and the surface, reaction probabilities, yields, rate coefficients, and threshold energies that characterize these processes. The increasing complexity of the structures being fabricated, new materials, and novel gas mixtures increase the complexity of the reaction mechanism used in feature scale models and increase the difficulty in developing the fundamental data required for the mechanism. This challenge is further exacerbated by the fact that acquiring these fundamental data through more complex computational models or experiments is often limited by cost, technical complexity, or inadequate models. In this paper, we discuss a method to automate the selection of fundamental data in a reduced reaction mechanism for feature scale plasma etching of SiO 2 using a fluorocarbon gas mixture by matching predictions of etch profiles to experimental data using a gradient descent (GD)/Nelder–Mead (NM) method hybrid optimization scheme. These methods produce a reaction mechanism that replicates the experimental training data as well as experimental data using related but different etch processes.

36 MATERIALS SCIENCE↗

Assessment of MELCOR condensation models with the presence of noncondensable gas in natural convection flow regime

Condensation of steam vapor is an important mode of energy removal from the reactor containment. The presence of noncondensable gas complicates the process and makes it difficult to model. MELCOR, one of the more widely used system codes for containment analyses, uses the heat and mass transfer analogy to model condensation heat transfer. To investigate previously reported nodalization-dependence in natural convection flow regime, MELCOR condensation model as well as other models are studied. The nodalization-dependence issue is resolved by using physical length from the actual geometry rather than node size of each control volume as the characteristic length scale for MELCOR containment analyses. At the transition to turbulent natural convection regime, the McAdams correlation for convective heat transfer produces a better prediction compared to the original MELCOR model. The McAdams correlation is implemented in MELCOR and the prediction is validated against a set of experiments on a scaled AP600 containment. The MELCOR with our implemented model produces improved predictions. For steam molar fractions in the gas mixture greater than about 0.58, the predictions are within the uncertainty margin of the measurements. The simulation results still underestimate the heat transfer from the gas-steam mixture, implying that conservative predictions are provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗