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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Status and Ambitions of the US Heavy Element Program

The aim of this whitepaper is to highlight the current capabilities and priorities of the US Heavy Element community and to provide the framework for a coordinated advancement of nuclear science from these studies. This is an organized effort to reflect on what has been achieved in the field given the recommendations and initiatives of the 2015 NSAC Long Range Plan, and on what can be realized in the next decade given current and possibly expanded investments. Current investments have positioned the US community to be among the world leaders in studies of the nuclear and chemical properties of the heaviest elements. These include studies of reaction mechanisms, moving us ever closer to the “island of stability”, in spectroscopy, allowing us to better understand nuclear structure at these extreme proton numbers, in chemical behavior, looking to determine how these elements should be placed on the Periodic Table, in performing the first measurements where isotopes are directly identified by their mass numbers, and in laying the foundation for a potential US-led new element discovery experiment. At present, the highest priority of the US Heavy Element community is to capitalize on the current investments by supporting the operations of US facilities at optimal values. These facilities include the Argonne Tandem Linac Accelerator System at Argonne National Laboratory and other Department of Energy facilities such as the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory, which has a dedicated superheavy element program, as well as university laboratories, including Texas A&M University. The High Flux Isotope Reactor at Oak Ridge National Laboratory is crucial to providing the radioactive isotopes required for heavy element science targets. This facility should be supported to provide the actinide materials that are essential for US-based science. Production of stable, rare isotopes for beam material, including 48 Ca, 50 Ti, 54 Cr and 58 Fe, at the Stable Isotope Production and Research Center is critical to continued research in heavy element science and should be a priority. The continued development of targets for heavy element science and retaining US-based expertise is critical for the heavy element community. This is an area that is currently under pressure. For example, the target laboratory at Argonne National Laboratory serves a broad community and is currently under threat due to loss of critical personnel. The skills needed to make targets for nuclear science and develop new targetry methods need to be supported long term at Argonne, Oak Ridge and Lawrence Livermore National Laboratories as well as maintaining the programs at Oregon State University and San José State University as vital pipelines for training students. Advances in theory are the foundation to understand how nuclei behave and to predict those behaviors in new circumstances. Progress in these studies will necessitate continued and new investment and access to high-performance computing. The future health of the heavy element field is dependent on the continuous support of talented early-career professionals at all levels. It is critical that opportunities continue to be created for the next generation to become established in heavy element research so that we can ensure the field is attracting and retaining the best minds for continued success. It is also clear that to ensure diversity of ideas, perspectives and techniques, we need to recruit diverse personnel that are trained at the best facilities. The heavy element community is in support of continued investment to programs with initiatives in diversity, equity, and inclusion. Looking to the next decade of research, support needs to maintain and grow US leadership in heavy element science. Specifically, new investments in state-of-the-art instrumentation will be essential to scientific development of the field and in expanding scientific knowledge. Advances in the next generation of electron cyclotron resonance ion sources, multi-reflection time-of-flight devices, laser spectroscopy, trapping methods and next generation alpha and gamma spectroscopy systems should be prioritized.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Heavy-element production in a compact object merger observed by JWST

The mergers of binary compact objects such as neutron stars and black holes are of central interest to several areas of astrophysics, including as the progenitors of gamma-ray bursts (GRBs), sources of high-frequency gravitational waves (GWs) and likely production sites for heavy-element nucleosynthesis by means of rapid neutron capture (the r -process). Here we present observations of the exceptionally bright GRB 230307A. We show that GRB 230307A belongs to the class of long-duration GRBs associated with compact object mergers and contains a kilonova similar to AT2017gfo, associated with the GW merger GW170817. We obtained James Webb Space Telescope (JWST) mid-infrared imaging and spectroscopy 29 and 61 days after the burst. The spectroscopy shows an emission line at 2.15 microns, which we interpret as tellurium (atomic mass A = 130) and a very red source, emitting most of its light in the mid-infrared owing to the production of lanthanides. These observations demonstrate that nucleosynthesis in GRBs can create r -process elements across a broad atomic mass range and play a central role in heavy-element nucleosynthesis across the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Studies of heavy and super heavy elements with FIONA: the broad impact of mass-number identifications

There have been multiple recent experimental upgrades at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron facility aimed to further what is possible in Heavy and Super Heavy Element research. The addition of FIONA to the focal plane of the Berkeley Gas-Filled Separator now allows for ions of these heavy and superheavy elements, produced in nuclear reactions, to be identified directly by their mass-to-charge ratio. Mass-number measurements can have a broad impact in understanding the fundamental nuclear and chemical properties of the heaviest elements. A detailed review of the Berkeley Gas-filled Separator, FIONA, their capabilities, and an overview of the first science results are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

First experiment at the Super Heavy Element Factory: High cross section of Mc 288 in the Am 243 + Ca 48 reaction and identification of the new isotope Lr 264

Here, we present results of the first experiment aimed at the synthesis of Mc isotopes in the 243 Am+ 48 Ca reaction performed at the new gas-filled separator DGFRS-2 online to the new cyclotron DC280 at the Super Heavy Element Factory at JINR. Fifty-five new decay chains of 288 Mc and six chains assigned to 289 Mc were detected. The α decay of 268 Db with an energy of 7.6–8.0 MeV, half-life of 16$^{+6}_{-4}$h, and a branch of 55$^{+20}_{-15}$% was registered for the first time, and a new spontaneously fissioning isotope 264 Lr with a half-life of 4.9$^{+2.1}_{-1.3}$h was identified. The cross section for the 243 Am( 48 Ca,3n) 288 Mc reaction was measured to be 17.1$^{+6.3}_{-4.7}$ pb, which is the largest value for the known superheavy nuclei at the island of stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Heavy Elements and Electromagnetic Transients from Neutron Star Mergers

Compact binary mergers involving neutron stars can eject a fraction of their mass to space. Being extremely neutron rich, this material undergoes rapid neutron capture nucleosynthesis, and the resulting radioactivity powers fast, short-lived electromagnetic transients known as kilonova or macronova. Such transients are exciting probes of the most extreme physical conditions and their observation signals the enrichment of the Universe with heavy elements. Here the current understanding of the mass ejection mechanisms, the properties of the ejecta, and the resulting radioactive transients are reviewed. The first well-observed event in the aftermath of GW170817 delivered a wealth of insights, but much of today's picture of such events is still based on a patchwork of theoretical studies. Apart from summarizing the current understanding, questions where no consensus has been reached yet are also pointed out, and possible directions for the future research are sketched. In an appendix, a publicly available heating rate library based on the WinNet nuclear reaction network is described, and a simple fit formula to alleviate the implementation in hydrodynamic simulations is provided.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A new generation of effective core potentials: Selected lanthanides and heavy elements

Here, we construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and ƒ-elements that are of significant current interest in materials and chemical applications, including Y, Zr, Nb, Rh, Ta, Re, Pt, Gd, and Tb. As is customary, ccECPs consist of spin orbit averaged relativistic effective potential (AREP) and effective spin-orbit (SO) terms. For the AREP part, our constructions are carried out within a relativistic coupled-cluster framework while also taking into account objective function one-particle characteristics for improved convergence in optimizations. The transferability is adjusted using binding curves of hydride and oxide molecules. We address the difficulties encountered with ƒ-elements, such as the presence of large cores and multiple near-degeneracies of excited levels. For these elements, we construct ccECPs with core valence partitioning that includes 4ƒ-subshell in the valence space. The developed ccECPs achieve an excellent balance between accuracy, size of the valence space, and transferability and are also suitable to be used in plane wave codes with reasonable energy cutoffs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Collapse of magnetized white dwarfs as site of heavy-element formation and kilonova signal

We present the first end-to-end calculation connecting the accretion-induced collapse (AIC) of a magnetized, rapidly rotating white dwarf to observable kilonova signatures, combining two-dimensional (2D) general-relativistic neutrino-magnetohydrodynamic simulations, followed by radiation hydrodynamics with in-situ nuclear network and 2D Monte Carlo radiative transfer with spatially resolved heating rates. Unlike all previous unmagnetized AIC models – which predicted proton-rich, $^{56}$Ni-dominated ejecta – strong magnetic fields eject ${\approx }\, 0.2\, \mathrm{ M}_\odot$ of neutron-rich material ($\langle Y_e \rangle \sim 0.24$) on dynamical time-scales, before neutrino irradiation can raise the electron fraction, enabling strong r-process nucleosynthesis up to and beyond the third peak. The resulting kilonova is lanthanide-rich ($X_{\rm lan} \approx 8~{{\ \rm per\ cent}}$) and dominated by near-infrared emission. We compute synthetic light curves in the Large Synoptic Survey Telescope and J ames Webb Space Telescope bands and find striking agreement, without parameter tuning, between the observations of AT 2023vfi/GRB 230307A and our broadband light curves for polar viewing angles. These results establish magnetized AIC as a viable channel for heavy r-process element production and a compelling progenitor candidate for long-duration gamma-ray bursts with kilonova signatures.

MHD↗
DOE OSTI2022

A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements

We introduce new correlation consistent effective core potentials (ccECPs) for the elements I, Te, Bi, Ag, Au, Pd, Ir, Mo, and W with 4d, 5d, 6s, and 6p valence spaces. These ccECPs are given as a sum of spin-orbit averaged relativistic effective potential (AREP) and effective spin–orbit (SO) terms. The construction involves several steps with increasing refinements from more simple to fully correlated methods. The optimizations are carried out with objective functions that include weighted many-body atomic spectra, norm-conservation criteria, and SO splittings. Transferability tests involve molecular binding curves of corresponding hydride and oxide dimers. The constructed ccECPs are systematically better and in a few cases on par with previous effective core potential (ECP) tables on all tested criteria and provide a significant increase in accuracy for valence-only calculations with these elements. Our study confirms the importance of the AREP part in determining the overall quality of the ECP even in the presence of sizable spin–orbit effects. The subsequent quantum Monte Carlo calculations point out the importance of accurate trial wave functions that, in some cases (mid-series transition elements), require treatment well beyond a single-reference.

Wang, Guangming (ORCID:0000000231327925)↗
DOE OSTI2026

Heavy Element Spectroscopy in the Gas Phase

Actinides are inherently unstable and undergo nuclear decay processes with a concurrent release of energy. Consequently, they are used for nuclear power generation, nuclear weapons, and nuclear medicine. However, the radioactive decay processes also pose significant technological problems for the safe treatment and storage of spent nuclear materials. Cost-effective extraction of the actinides is the key first step in the remediation of nuclear waste, but the appropriate chemical means have yet to be determined. Our present understanding of the chemistry of actinides is limited, with the role of the 5f electrons posing a set of particularly challenging questions. The work reported here is focused on the use of electronic spectroscopy to probe the bonding of small molecules in the gas phase that contains thorium or uranium. Analyses of these data, carried out within the framework of ligand field theory, reveal clear evidence that the 5f electrons are spectators that retain their atomic metal ion character.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Investigation of the Role of the Role of Nuclear Physics in Heavy Element Nucleosynthesis, through the Study of Key Reactions, and the Improvement of Theoretical Reaction Rates (Final Report)

Neutrino-driven winds in core-collapse supernovae have been identified as a possible site for the production of elements heavier than iron. Traditionally, these neutrino-driven winds have been proposed as the site of the main r-process. Recent simulations fail to reproduce the conditions required for the main r-process. while they remain a promising site for producing the lightest elements beyond iron, e.g., Sr, Y, and Zr through the νp process. The efficiency of the νp process depends on the hydrodynamical conditions, the electron fraction (which is related to the neutrino properties), and the nuclear reactions on many short-lived nuclei with limited (if at all) experimental information. The reaction rates on these nuclei are based on theoretical predictions using the Hauser-Feshbach model. Recent sensitivity studies have highlighted the importance of neutron-induced reactions on these nuclei along the νp process path. This work aimed to experimentally constrain reaction rates that are known to play a key role in the neutrino-p process nucleosynthesis. A secondary subsequently-added objective was to start the implementation of techniques that improve the description of nuclear properties in the Hauser-Feshbach model by extending the microscopic nuclear level density description offered via the shell model to high excitation energies without using experiment-based renormalizations. The main objective of this work was the experimental constraint of the 56 Ni(n,p) 56 Co reaction rate via a measurement of the inverse reaction 56 Co(p,n) 56 Ni at the National Superconducting Cyclotron Laboratory (NSCL) and later the Facility for Rare Isotope Beams (FRIB). This reaction is considered the key one for determining the yields possible by the neutrino-p process. A technique for this type of measurement in inverse kinematics at low energies did not exist before this work. The work also had two secondary objectives. First, to contribute to efforts to measure the same reaction in direct kinematics using a radioactive target at Los Alamos National Laboratory (LANL), and second, to advance work to implement shell-model-deduced microscopic level densities in Hauser-Feshbach calculations. The project has resulted in the development of the first technique to perform (p,n) cross-section measurements in relevant-for-astrophysics low energies in inverse kinematics using a magnetic spectrometer or separator, and neutron detectors for neutron tagging. It has also resulted in the precise measurement of the cross-section of the 40 Ar(p,n) 40 K reaction in a proof-of-principle experiment realized by using a beam-line quadrupole of the ReA3 accelerator of NSCL/FRIB. As part of this project the technique was successfully adapted to make use of the superior acceptance of the Separator for Capture Reactions (SECAR) at FRIB. In this project, the required experimental setup simulations and beam optics were developed and tested with the measurement of the 58 Fe(p,n) 58 Cu reaction cross-section. Additionally, this project contributed with simulation work to the development of a technique to measure (n,p) reactions with radioactive targets at LANL, and which resulted in the measurement of the key 56 Ni(n,p) 56 Co reaction cross-section at neutron energies above ≈1 MeV. Last, the project initiated work in the development of shell model based level densities using the moments method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Novel Wavefunction Approaches for Studying Actinides and Other Heavy Elements (Final Report (2012-2020))

The theoretical characterization of actinide molecules is a crucial complement to their experimental study; actinides are vital to issues of national security and energy, but they are expensive and hazardous to study experimentally. However, because actinides contain a large number of electrons and are often strongly correlated, their theoretical description is difficult. We have had success studying actinide chemistry and physics using density functional theoretical approaches over the past several years, but we have found that such methods are incapable of treating strong correlations adequately. We thus shifted our research focus to the development of tractable wavefunction methods for strong correlations of actinides. Our early wavefunction-based approaches focused on extending symmetry-adapted, single-reference coupled cluster for treating strong correlations with feasible computational cost. While we have had some success along these lines, we have recently developed spin-projected unrestricted coupled cluster, which is essentially a black-box multi-reference coupled cluster theory that is superior to unrestricted coupled cluster for small- to medium-sized systems across practically all physical correlation strengths, yet preserves good quantum numbers. For actinides, however, where spin-orbit coupling is often nonnegligible, spin is no longer a fundamental symmetry. We thus propose to develop time reversal and point group projected coupled cluster, which will preserve the fundamental symmetries for actinides. Time reversal projection is achieved via the product of half-spin projection, or spin flip, and complex conjugation projection. Along with point group, these are discrete symmetries, i.e. non-continuous quantum numbers, which, in addition to being the correct symmetries for actinides, can be implemented in lower computational cost than full spin projection. We propose the development of these theories within a synergistic collaboration to use the new methods to elucidate difficult actinide chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Collective Neutrino Oscillations and Heavy-element Nucleosynthesis in Supernovae: Exploring Potential Effects of Many-body Neutrino Correlations

In high-energy astrophysical processes involving compact objects, such as core-collapse supernovae or binary neutron star mergers, neutrinos play an important role in the synthesis of nuclides. Neutrinos in these environments can experience collective flavor oscillations driven by neutrino–neutrino interactions, including coherent forward scattering and incoherent (collisional) effects. Recently, there has been interest in exploring potential novel behaviors in collective oscillations of neutrinos by going beyond the one-particle effective or "mean-field" treatments. Here, we seek to explore implications of collective neutrino oscillations, in the mean-field treatment and beyond, for the nucleosynthesis yields in supernova environments with different astrophysical conditions and neutrino inputs. We find that collective oscillations can impact the operation of the νp-process and r-process nucleosynthesis in supernovae. The potential impact is particularly strong in high-entropy, proton-rich conditions, where we find that neutrino interactions can nudge an initial νp-process neutron-rich, resulting in a unique combination of proton-rich low-mass nuclei as well as neutron-rich high-mass nuclei. We describe this neutrino-induced neutron-capture process as the "νi-process." In addition, nontrivial quantum correlations among neutrinos, if present significantly, could lead to different nuclide yields compared to the corresponding mean-field oscillation treatments, by virtue of modifying the evolution of the relevant one-body neutrino observables.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Formation and Evolution Simulations of Saturn, Including Composition Gradients and Helium Immiscibility

In this paper, the formation of Saturn is modeled by detailed numerical simulations according to the core-nucleated accretion scenario. Previous models are enhanced to include the dissolution of accreting planetesimals, composed of water ice, rock, and iron, in the gaseous envelope of the planet, leading to a nonuniform composition with depth. The immiscibility of helium in metallic hydrogen layers is also considered. The calculations start at a mass of 0.5 Earth masses and are extended to the present day. At 4.57 Gyr, the model, proceeding outward, has the following structure: (i) a central core composed of 100% heavy elements and molecules, (ii) a region with a decreasing heavy-element mass fraction, down to a value of 0.1, (iii) a layer of uniform composition with the helium mass fraction Y enhanced over the primordial value, (iv) a helium rain region with a gradient in Y, (v) an outer convective, adiabatic region with uniform composition in which Y is reduced from the primordial value, and (vi) the very outer layers where cloud condensation of the heavy elements occurs. Models of the distribution of heavy elements as a function of radius are compared with those derived to fit the observations of the Cassini mission, with rough qualitative agreement. The helium mass fraction in Saturn’s outer layers is estimated to be around 20%. Models are found that provide good agreement with Saturn’s intrinsic luminosity and radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Trace elements and heavy metals in black vultures ( Coragyps atratus ) and turkey vultures ( Cathartes aura ) in the southeastern United States

Many vulture species worldwide are declining at alarming rates due to a variety of anthropogenic causes, including exposure to pollutants and pharmaceuticals through consumption of contaminated carrion. However, little is known about the extent to which vultures are exposed to various contaminants as well as toxicity thresholds for trace elements and heavy metals. Our objective was to quantify levels of trace elements and heavy metals within black vulture (Coragyps atratus) and turkey vulture (Cathartes aura) tissues to determine the extent to which populations in the southeastern United States are exposed to carrion that contains high levels of contaminants. We collected black vulture liver samples and examined differences in trace element and heavy metal concentrations between sexes and age classes (adult and juvenile). Further, we collected 81 blood and 42 feather samples from additional black and turkey vultures and compared differences between species and age classes. We found similar element concentrations between juvenile and adult black vultures with the exception of Cu, where levels 40 were higher in juveniles compared to adults. However, we did observe substantial differences in element concentrations between species for both blood and feather samples, with black vultures generally having higher concentrations of most elements. Our data revealed higher element levels in both species compared to toxicity thresholds found in other bird of prey species, such as blood and liver toxicity threshold suggestions for Pb poisoning in Falconiformes. Further, while average contaminant levels were generally low, extreme outliers were observed for some elements, including Pb, suggesting some individuals were exposed to high levels of potentially toxic elements. In conclusion, more research is needed to better understand contaminant exposure in black and turkey vultures across a broader geographic region, as well as elucidate toxicity thresholds and non-lethal impacts of contaminant exposure in these species.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗