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At least 163 records · Page 9

High-Fidelity Modeling and Experiments to Inform Safety Analysis Codes for Heat Pipe Microreactors

Heat pipe microreactors are reactor designs that primarily use liquid-metal heat pipes to cool the core. The main interest in heat pipes is the fact that they can remove heat passively. This, along with the use of liquid metal, allows the reactor to operate at higher temperatures. Although the use of heat pipes in nuclear reactors is new, liquid-metal heat pipe technology is mature. Nevertheless, experimental data on heat pipes are scarce, and very little is known about their behavior during abnormal operations and close to their thermal limits. Therefore, new experiments and accurate heat pipe simulations are needed to develop reliable closure models. This work describes a joint experimental and numerical investigation into heat pipes that attempts an initial closure of this gap. Further, the numerical and experimental efforts are currently proceeding in parallel, aimed at different aspects of heat pipes. The numerical part is focused on gaps in local closures, and the experiments capture the overall heat pipe behavior.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

233 U(n,γ) measurements in the Unresolved and Fast Regime at LANSCE [Slides]

Experimental 233 U(n,γ) cross section data in the literature are scarce and were measured decades ago. A new report suggests that a simultaneous measurement with capture would be useful, for 233 U fission is around one order of magnitude more likely than capture. Good discrimination between gammas coming from capture and fission is required. New measurements performed at LANL combine NEUANCE and DANCE.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Heterogeneity of Bulk Oxygen Isotopic Compositions in Anhydrous Interplanetary Dust Particles

Introduction: Anhydrous interplanetary dust particles are one of the least altered ancient solar systemmaterials. Their bulk chemical compositions match those of CI chondrites within a factor of 2-3, except for carbonwhich is enriched in both anhydrous and hydrated IDPs by ~4x CI [1]. Hydrous IDPs often show 16O-poor isotopiccompositions, likely due to the interaction with isotopically heavy H2O [2]. Anhydrous IDPs are interpreted tooriginate from comets from the outer solar system [3]. Oxygen isotopic data for these materials is scarce, but resultspoint to a wider range of compositions [4]. This heterogeneity might be a result of mixing between a 16O-rich and a16O-poor reservoir formed via self-shielding and photodissociation of CO [5]. Here, we report bulk oxygen isotopiccompositions of three anhydrous IDPs in context of their mineralogical composition and discuss possible origins ofisotopic heterogeneity. Experimental: Bulk chemical composition and mineralogy of 70 nm thin ultramicrotomed sections of threeanhydrous IDPs (L2099A7, L2099A8, and L2071AB1) were analyzed using a Thermo Scientific Titan Themis G360-300 TEM equipped with a four-quadrant energy-dispersive X-ray detector (Super-X G2) at University ofMünster. Bulk oxygen isotopic compositions were measured using a NanoSIMS 50 at the Max-Planck-Institut fürChemie in Mainz. A focused Cs+ ion beam (~1 pA, ~100 nm) was rastered over a field of view varying from 5 x 5 to6 x 6 μm2, depending on particle size for 15 layers. Negative secondary ions of 16O, 17O, 18O, 12C14N, and 28Si werecollected on electron multipliers. The 16OH contribution to the 17O peak was 1-2 ‰. As a standard, a matrix regionof meteorite CR2 Queen Alexandra Range (QUE) 99177 was used, whose oxygen isotopic composition wasmeasured by [6]. Results and Discussion: Particles A7 and A8 are both fine-grained, consisting mostly of small, 100 nm-sizedequilibrated aggregates (EA). Both particles exhibit discontinuous magnetite rims with thicknesses up to 50 nm inA7 and 100 nm in A8 on the outsides. In Particle AB1, the upper part of the particle consists of a few EAs, while thelower part contains lots of small GEMS grains with 100-200 nm diameter clustered together. Magnetite rims arenearly absent, the rare rims reaching maximum 20 nm thickness, indicating that AB1 is of more primitive naturethan the other two IDPs [1]. Furthermore, it contains several diffuse GEMS-like areas, identified by an amorphoussilicate groundmass with small nano-inclusions of Fe,Ni-metal and Fe-sulfides. All three particles are subsolar forall major element/Si ratios. Mean S/Si of particles A7 and A8 is 0.046 and 0.048, respectively, while it is an order ofmagnitude higher in AB1 (0.184). This reflects the higher degree of thermal alteration in A7 and A8, resulting in theloss of volatile S and oxidation of Fe-sulfides and FeNi-metal to magnetite as present in particle rims. A8 is rather16O-poor with δ17OSMOW = 7.8 ± 3.4 ‰ and δ18OSMOW = 9.5 ± 3.1 ‰ (1σ), followed by A7 with δ17OSMOW = − 0.8 ±4.6 ‰ and δ18OSMOW = −2.2 ± 3.4 ‰. In contrast to that, AB1 has the most 16O-rich bulk composition with δ17OSMOW= −24.2 ± 5.4 ‰ and δ18OSMOW = −25.3 ± 3.6 ‰. All investigated IDPs plot slightly above the CCAM line aspreviously reported for other anhydrous IDPs [4], maybe due to a contribution from circumstellar dust from AGBstars enriched in 17O [7]. The 16O-rich composition of AB1 is similar to the most 16O-rich anhydrous IDP U2015D21measured by [8] which is dominated by GEMS [9] and the GEMS-rich IDP GM4-2 reported by [10]. Nevertheless,it is unlikely that GEMS are the carrier for the 16O-rich composition of AB1 because most GEMS have O isotopiccompositions indistinguishable from terrestrial values, although errors on these analyses are large [11]. The isotopicheterogeneity is best explained by contribution of grains from different regions in the protoplanetary disk, samplingdifferent O isotope reservoirs, created by self-shielding and photodissociation of CO. This process resulted in 16O-rich CO gas and 16O-poor H2O that froze as ice-mantles onto dust grains [12]. Alternatively, the higher degree ofheating in A7 and A8 could have influenced isotopic fractionation, because higher δ17,18O values are reported fromthe regions of the atmosphere where small particles are heated and oxidized, as observed for the thermal alteration ofcosmic spherules [13]. Acknowledgements: We would like to thank NASA Astromaterials Acquisition & Curation Office for providing IDPsamples and DFG for funding this project (VO1816/5-1)

B Schulz↗

Low-Cost Sensor Performance Intercomparison, Correction Factor Development, and 2+ Years of Ambient PM2.5 Monitoring in Accra, Ghana

Particulate matter air pollution is a leading cause of global mortality, particularly in Asia and Africa. Addressing the high and wide-ranging air pollution levels requires ambient monitoring, but many low- and middle-income countries (LMICs) remain scarcely monitored. To address these data gaps, recent studies have utilized low-cost sensors. These sensors have varied performance, and little literature exists about sensor intercomparison in Africa. By colocating 2 QuantAQ Modulair-PM, 2 PurpleAir PA-II SD, and 16 Clarity Node-S Generation II monitors with a reference-grade Teledyne monitor in Accra, Ghana, we present the first intercomparisons of different brands of low-cost sensors in Africa, demonstrating that each type of low-cost sensor PM2.5 is strongly correlated with reference PM2.5, but biased high for ambient mixture of sources found in Accra. When compared to a reference monitor, the QuantAQ Modulair-PM has the lowest mean absolute error at 3.04 μg/m3, followed by PurpleAir PA-II (4.54 μg/m3) and Clarity Node-S (13.68 μg/m3). We also compare the usage of 4 statistical or machine learning models (Multiple Linear Regression, Random Forest, Gaussian Mixture Regression, and XGBoost) to correct low-cost sensors data, and find that XGBoost performs the best in testing (R2: 0.97, 0.94, 0.96; mean absolute error: 0.56, 0.80, and 0.68 μg/m3 for PurpleAir PA-II, Clarity Node-S, and Modulair-PM, respectively), but tree-based models do not perform well when correcting data outside the range of the colocation training. Therefore, we used Gaussian Mixture Regression to correct data from the network of 17 Clarity Node-S monitors deployed around Accra, Ghana, from 2018 to 2021. We find that the network daily average PM2.5 concentration in Accra is 23.4 μg/m3, which is 1.6 times the World Health Organization Daily PM2.5 guideline of 15 μg/m3. While this level is lower than those seen in some larger African cities (such as Kinshasa, Democratic Republic of the Congo), mitigation strategies should be developed soon to prevent further impairment to air quality as Accra, and Ghana as a whole, rapidly grow.

Humidity↗

Suggestions on the Vapor Pressure Determination of Molten Salts

The knowledge of the thermophysical properties of coolant and fuel in molten salts nuclear reactors (MSRs), such as thermal stability and vapor pressure, are of remarkable interest, particularly for simulating safe reactor operations. Molten salt reactorsMSRs use molten salt mixtures as the primary coolant and/or fuel and are expected to operate up to 800 °C. With the revival of interest in deploying MSRs, complete thermophysical and thermochemical characterization of these materials is of interest to industry, regulators, and researchers. Vapor pressure data for molten salts are scarce in the literature, both for pure salts but especially for eutectic mixtures. This report describes the effusion method, which consist of measuring the rate of escape of vapor molecules through a small orifice for the determination of the vapor pressure of compounds and may be useful on compounds such as molten salts. Thermogravimetric analysis records the mass loss as a function of time and temperature. There are two equations that can be used to relate the mass loss rate with the vapor pressure: (1) the Knudsen equation and (2) the Langmuir equation. To apply these equations, the system needs to reach a pseudo (or near) equilibrium condition. Therefore, the experimental conditions must be such that allow the condensed and the vapor/gas phases to be in equilibrium. In order to accomplish equilibrium like conditions, the sample must be in an almost-sealed cell except for a small orifice, from where the vapor escapes. In the Knudsen method vacuum is applied to eliminate the effect that the presence of other gas molecules could have on the evaporation rate of the sample. However, Langmuir alleged that in certain conditions, such as at low temperatures and/or when the vapor pressure is low, the rate of evaporation of a substance is independent of the presence of vapor around it. For that reason, some researchers, when measuring the mass loss of a substance with a predictable low vapor pressure, do not apply vacuum when using the Langmuir equation. However, they use a standard substance to parameterize the experimental setup. The use of one equation or the other will depend on the characteristics of the sample and the availability of an appropriate standard. Some important aspects related to the nature of the samples and vapor pressure measurements are described for future consideration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Energy and AI: Evaluating Future Grid and Water Stress Due to Data Centers

Projections of the need for new data centers to support Artificial Intelligence (AI) are large but highly uncertain. Recent projections indicate up to a 15% annual growth rate in data center electricity demand within the next 5-10 years. Given that most electric utilities are required to have a reserve margin of roughly the same magnitude as the projected growth in demand, these new data center loads could soon threaten resource adequacy and reliability unless data centers build their own generation, interruptible loads are negotiated, commensurate new capacity and/or transmission is built, or some combination of these options. Similarly, depending on the cooling technology and geographic location of new data centers, they could threaten water adequacy in water scarce regions. This presentation highlights the grid and water implications of new data centers to support AI.

Mongird, Kendall (ORCID:0000000328077088)↗

Limiting Data Friction by Reducing Data Download Using Spatiotemporally Aligned Data Organization Through STARE

Current data processing practice limits the volume and variety of relevant geoscience data that can practically be applied to important problems. File archives in centralized data centers are the principal means by which Earth Science data are accessed. This approach, however, requires laborious search, retrieval, and eventual customization/adaptation for the data to be used. Such fractionation makes it even more difficult to share outcomes, i.e. research artifacts and data products, hampering reusability and repeatability, since end users generally have their own research agenda and preferences as well as scarce resources. Thus, while finding and downloading data files from central data centers are already costly for end users working in their own field, using data products from other disciplines rapidly becomes prohibitive. This curtails scientific productivity, limits avenues of study, and endangers quality and reproducibility. The Spatio-Temporal Adaptive Resolution Encoding (STARE) is a unifying scheme that facilitates the indexing, access, and fusion of diverse Earth Science data. STARE implements an innovative encoding of geo-spatiotemporal information, originally developed for aligning datasets with diverse spatiotemporal characteristics in an array database. The spatial component of STARE recursively quadfurcates a root polyhedron, producing a hierarchical scheme for addressing geographic locations and regions. The temporal component of STARE uses conventional date-time units as an indexing hierarchy. The additional encoding of spatial and temporal resolution information in STARE enables comparisons and conditional selections across diverse datasets. Moreover, spatiotemporal set-operations, e.g. union and intersection, are mapped to efficient integer operations with STARE. Applied to existing data models (point, grid, spacecraft swath) and corresponding granules, STARE indexes provide a streamlined description usable as geo-spatiotemporal metadata. When coupled with large scale, distributed hardware and software, STARE-based data access reduces pre-analysis data preparation costs by offering a convenient means to align different datasets spatiotemporally without specialized effort in parallel computing or distributed data management.

Kuo, Kwo-Sen↗

TPSAS-NF1676L-32652-DND

Space weather is an important driver of the exposure of aircrew and passengers to cosmic rays at flight altitudes. The assessment of the corresponding radiation doses can be realized by measurements or model calculations that cover the whole range of the radiation field in terms of geomagnetic shielding, atmospheric shielding, and the effects of space weather. Since the radiation field at aviation altitudes is very complex in terms of particle composition and energy distribution, the accurate experimental determination of doses at aviation altitudes is still a challenging task. Accordingly, the amount of data with comparatively small uncertainties is scarce. The Community Coordinated Modeling Center invited the Federal Aviation Administration, the German Aerospace Center, and the National Aeronautics and Space Administration to make their radiation models for aviation CARI-7A, PANDOCA, and NAIRAS available for interested users via the Community Coordinated Modeling Center web site. A concomitant comparison of model calculations with measuring data provided information on the predicting capabilities and the uncertainties of the current versions of these models under quiet space weather conditions.

Matthias M Meier↗

A Global Capacity Building Vision for Societal Applications of Earth Observing Systems and Data: Key Questions and Recommendations

Capacity building using Earth observing (EO) systems and data (i.e., from orbital and nonorbital platforms) to enable societal applications includes the network of human, nonhuman, technical, nontechnical, hardware, and software dimensions that are necessary to successfully cross the valley [of death; see NRC (2001)] between science and research (port of departure) and societal application (port of arrival). In many parts of the world (especially where ground-based measurements are scarce or insufficient), applications of EO data still struggle for longevity or continuity for a variety of reasons, foremost among them being the lack of resilient capacity. An organization is said to have resilient capacity when it can retain and continue to build capacity in the face of unexpected shocks or stresses. Stresses can include intermittent power and limited Internet bandwidth, constant need for education on ever-increasing complexity of EO systems and data, communication challenges between the ports of departure and arrival (especially across time zones), and financial limitations and instability. Shocks may also include extreme events such as disasters and losing key staff with technical and institutional knowledge.

shocks↗

Accessing the strong interaction between Λ baryons and charged kaons with the femtoscopy technique at the LHC

The interaction between baryons and kaons/antikaons is a crucial ingredient for the strangeness $S$ = 0 and $S$ = -2 sector of the meson–baryon interaction at low energies. In particular, the $Λ\overline{K}$ might help in understanding the origin of states such as the $Ξ$(1620), whose nature and properties are still under debate. Experimental data on $Λ–K$ and $Λ–\overline{K}$ systems are scarce, leading to large uncertainties and tension between the available theoretical predictions constrained by such data. In this Letter we present the measurements of $Λ–K$ + ⊕ $\overline{Λ}–K$ - and $Λ–K$ - ⊕ $\overline{Λ}–K$ + correlations obtained in the high multiplicity triggered data sample in pp collisions at $\sqrt{s}$ = 13 TeV recorded by ALICE at the LHC. The correlation function for both pairs is modeled using the Lednický–Lyuboshits analytical formula and the corresponding scattering parameters are extracted. The $Λ–K$ - ⊕ $\overline{Λ}–K$ + correlations show the presence of several structures at relative momenta k above 200 MeV/c, compatible with the $Ω$ baryon, the $Ξ$(1690), and $Ξ$(1820) resonances decaying into $Λ–K$ - pairs. The low $k^*$ region in the $Λ–K$ - ⊕ $\overline{Λ}–K$ + also exhibits the presence of the $Ξ$(1620) state, expected to strongly couple to the measured pair. The presented data allow to access the $ΛK$ + and $ΛK$ - strong interaction with an unprecedented precision and deliver the first experimental observation of the $Ξ$(1620) decaying into $ΛK$ - .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Machine learning enabled measurements of astrophysical (p,n) reactions with the SECAR recoil separator

he synthesis of heavy elements in supernovae is affected by low-energy (n,p) and (p,n) reactions on unstable nuclei, yet experimental data on such reaction rates are scarce. The SECAR (SEparator for CApture Reactions) recoil separator at FRIB (Facility for Rare Isotope Beams) was originally designed to measure astrophysical reactions that change the mass of a nucleus significantly. We used a novel approach that integrates machine learning with ion-optical simulations to find an ion-optical solution for the separator that enables the measurement of (p,n) reactions, despite the reaction leaving the mass of the nucleus nearly unchanged. A new measurement of the 58 Fe (p,n)⁢ 58 Co reaction in inverse kinematics with a 3.66 ± 0.12 MeV/nucleon 58 Fe beam (corresponding to 3.69 ± 0.12 MeV proton energy in normal kinematics) yielded a cross-section of 20.3 ± 6.3 mb and served as a proof of principle experiment for the new technique demonstrating its effectiveness in achieving the required performance criteria. This novel approach paves the way for studying astrophysically important (p,n) reactions on unstable nuclei produced at FRIB.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Models and Processes to Extract Drug-like Molecules From Natural Language Text

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is molecules that have been reported in the scientific literature to be drug-like in the context of viral research. However, this literature is too large for human review and features unusual vocabularies for which existing named entity recognition (NER) models are ineffective. We report here on a project that leverages both human and artificial intelligence to detect references to such molecules in free text. We present 1) a iterative model-in-the-loop method that makes judicious use of scarce human expertise in generating training data for a NER model, and 2) the application and evaluation of this method to the problem of identifying drug-like molecules in the COVID-19 Open Research Dataset Challenge (CORD-19) corpus of 198,875 papers. We show that by repeatedly presenting human labelers only with samples for which an evolving NER model is uncertain, our human-machine hybrid pipeline requires only modest amounts of non-expert human labeling time (tens of hours to label 1778 samples) to generate an NER model with an F-1 score of 80.5%—on par with that of non-expert humans—and when applied to CORD’19, identifies 10,912 putative drug-like molecules. This enriched the computational screening team’s targets by 3,591 molecules, of which 18 ranked in the top 0.1% of all 6.6 million molecules screened for docking against the 3CLPro protein.

60 APPLIED LIFE SCIENCES↗

Predicting the Mechanical Response of Polyhydroxyalkanoate Biopolymers Using Molecular Dynamics Simulations

Polyhydroxyalkanoates (PHAs) have emerged as a promising class of biosynthesizable, biocompatible, and biodegradable polymers to replace petroleum-based plastics for addressing the global plastic pollution problem. Although PHAs offer a wide range of chemical diversity, the structure–property relationships in this class of polymers remain poorly established. In particular, the available experimental data on the mechanical properties is scarce. In this contribution, we have used molecular dynamics simulations employing a recently developed forcefield to predict chemical trends in mechanical properties of PHAs. Specifically, we make predictions for Young’s modulus, and yield stress for a wide range of PHAs that exhibit varying lengths of backbone and side chains as well as different side chain functional groups. Deformation simulations were performed at six different strain rates and six different temperatures to elucidate their influence on the mechanical properties. Our results indicate that Young’s modulus and yield stress decrease systematically with increase in the number of carbon atoms in the side chain as well as in the polymer backbone. In addition, we find that the mechanical properties were strongly correlated with the chemical nature of the functional group. The functional groups that enhance the interchain interactions lead to an enhancement in both the Young’s modulus and yield stress. Finally, we applied the developed methodology to study composition-dependence of the mechanical properties for a selected set of binary and ternary copolymers. Overall, our work not only provides insights into rational design rules for tailoring mechanical properties in PHAs, but also opens up avenues for future high throughput atomistic simulation studies geared towards identifying functional PHA polymer candidates for targeted applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interactions of heavy nuclei, Kr, Xe and Ho, in light targets

Over the past few years, the HEAO-3 measurements of the abundance of ultra-heavy cosmic ray nuclei (Z 26) at Earth were analyzed. In order to interpret these abundances in terms of a source composition, allowances must be made for the propagation of the nuclei in the interstellar medium. Vital to any calculation of the propagation is a knowlege of the total and partial interaction cross sections for these heavy nuclei on hydrogen. Until recently, data on such reactions have been scarce. The semi-empirical formalism of Silberberg and Tsao were relied upon to predict the partial cross sections. However, now that relativistic heavy ion beams are available at the LBL Bevalac, some of the cross sections of interest can be measured at energies close to those of the cosmic ray nuclei being observed.

Kertzman, M. P.↗

Interactions of heavy nuclei, Kr, Xe and Ho, in light targets

Over the past few years, the HEAO-3 measurements of the abundances of ultra-heavy cosmic ray nuclei (Z 26) at earth have been analyzed. In order to interpret these abundances in terms of a source composition, allowance must be made for the propagation of the nuclei in the interstellar medium. Vital to any calculation of the propagation is a knowlege of the total and partial interaction cross sections for these heavy nuclei on hydrogen. Until recently, data on such reactions have been scarce. However, now that relativistic heavy ion beams are available at the LBL Bevalac, some of the cross sections of interest can be measured at energies close to those of the cosmic ray nuclei being observed. During a recent calibration at the Bevalac of an array similar to the HEAO-C3 UH-nuclei detector, targets of raphite (C), polyethylene (CH2), and aluminum were exposed to five heavy ion beams ranging in charge (Z) from 36 to 92. Total and partial charge changing cross sections for the various beam nuclei on hydrogen can be determined from the measured cross sections on C and CH2, and will be applied to the propagation problem. The cross sections on Al can be used to correct the abundances of UH cosmic rays observed in the HEAO C-3 detector for interactions in the detector itself.

Kertzman, M. P.↗

Active Control of Fan Noise: Feasibility Study: Numerical Computation of Acoustic Mode Reflection Coefficients for an Unflanged Cylindrical Duct - Volume 5

A computational method to predict modal reflection coefficients in cylindrical ducts has been developed based on the work of Homicz, Lordi, and Rehm, which uses the Wiener-Hopf method to account for the boundary conditions at the termination of a thin cylindrical pipe. The purpose of this study is to develop a computational routine to predict the reflection coefficients of higher order acoustic modes impinging on the unflanged termination of a cylindrical duct. This effort was conducted wider Task Order 5 of the NASA Lewis LET Program, Active Noise Control of aircraft Engines: Feasibility Study, and will be used as part of the development of an integrated source noise, acoustic propagation, ANC actuator coupling, and control system algorithm simulation. The reflection coefficient prediction will be incorporated into an existing cylindrical duct modal analysis to account for the reflection of modes from the duct termination. This will provide a more accurate, rapid computation design tool for evaluating the effect of reflected waves on active noise control systems mounted in the duct, as well as providing a tool for the design of acoustic treatment in inlet ducts. As an active noise control system design tool, the method can be used preliminary to more accurate but more numerically intensive acoustic propagation models such as finite element methods. The resulting computer program has been shown to give reasonable results, some examples of which are presented. Reliable data to use for comparison is scarce, so complete checkout is difficult, and further checkout is needed over a wider range of system parameters. In future efforts the method will be adapted as a subroutine to the GEAE segmented cylindrical duct modal analysis program.

Kraft, R. E.↗

Radiation and Thermal Cycling Effects on EPC1001 Gallium Nitride Power Transistors

Electronics designed for use in NASA space missions are required to work efficiently and reliably under harsh environment conditions. These include radiation, extreme temperatures, and thermal cycling, to name a few. Information pertaining to performance of electronic parts and systems under hostile environments is very scarce, especially for new devices. Such data is very critical so that proper design is implemented in order to ensure mission success and to mitigate risks associated with exposure of on-board systems to the operational environment. In this work, newly-developed enhancement-mode field effect transistors (FET) based on gallium nitride (GaN) technology were exposed to various particles of ionizing radiation and to long-term thermal cycling over a wide temperature range. Data obtained on control (un-irradiated) and irradiated samples of these power transistors are presented and the results are discussed.

Patterson, Richard L.↗

The coordination properties and ionic radius of actinium: A 120-year-old enigma

Actinium is an elusive element with untamed properties and represents a peculiar case in the periodic table, as its isotopes are all radioactive, the longest-lived one having only a 22-year half-life, and the availability of actinium isotopes remains very low (microgram level, at best), hindering research on its compounds. Despite being a natural element discovered more than 120 years ago, and despite an increasing interest in using one of its isotopes ( 225 Ac) for highly efficient cancer therapies, the chemistry of actinium is still largely unknown relative to other elements. Since Ac is the first element of the actinide series, it is accepted that its ion, Ac 3+ , is the most voluminous trivalent cation of the periodic table. However, the structural data available on Ac 3+ compounds are scarce and have mainly been collected in the 1940-1960's, when actinide chemistry was still in its infancy, and have not been put in perspective with the advances in the chemistry of other elements, making it difficult to accurately evaluate its actual size and coordination chemistry. Here, we review progress made on the chemistry of lanthanides and actinides and reevaluate the structural data published on Ac 3+ since the era of the Manhattan Project. The data are combined across different spectroscopic and characterization methods and presented in the context of periodic trends. When considering crystallographic data, solution chemistry results, and the nuclear properties of actinium isotopes, it appears that some structural parameters ascribed to the Ac 3+ ion may have been overestimated. This review can guide researchers interested in actinide sciences and those who are pursuing the development of actinium-based radiotherapies, from isotope production to clinical trials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗