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DOE OSTI2019

Impact of Li-Ion Battery Recycling on the Supply Chain

With the increasing demand of the lithium ion batteries (LIB), it is expected that supply of some critical metals used in Li-ion batteries such as cobalt and lithium will fall short in the near-term, or their prices could increase significantly in response to the high demand. Besides increasing mining and production activities, we believe that a closed-loop system with recycling at the end-of-life provides a pathway to lower environmental impacts and a source of high value materials that can be used in producing new batteries. This presentation reviews the current state of the LIB manufacturing supply chain, discuses evolution and supply chain issues for cathode and anode materials, addresses some issues associated with battery end-of-life, and sheds light on the importance of LIB recycling from the environmental and value chain perspectives. This presentation also discusses the expected benefits of recycling on the global LIB supply chain.

25 ENERGY STORAGE↗

DOE OSTI2020

Direct observation of 3D atomic packing in monatomic amorphous materials

Liquids and solids are two fundamental states of matter. Although the structure of crystalline solids has long been solved by crystallography, our understanding of the 3D atomic structure of liquids and amorphous materials remained speculative. In 1952, Frank hypothesized that icosahedral order is the prevalent atomic motif in monatomic liquids. Over the past six decades, there have been a great deal of experimental, computational and theoretical studies to understand the structure of liquids and amorphous materials. A polytetrahedral packing model was proposed to explain the 3D atomic structure of monatomic liquids and amorphous materials, in which icosahedral order is a key feature. The icosahedral order has also been found to play an important role in the structure of metallic glasses and quasicrystals. Here we advance atomic electron tomography to determine for the first time the 3D atomic positions in monatomic amorphous materials, including a Ta thin film and two Pd nanoparticles. Despite the different chemical composition and synthesis methods, we observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Contrary to the traditional understanding, the pentagonal bipyramids do not assemble full icosahedra, but are closely connected with each other to form networks that extend to medium-range scale. Our molecular dynamic simulations, coupled with experimental results, further reveal that the 3D atomic structure of monatomic liquids is similar to the experimental amorphous material. Moreover, we find that the pentagonal bipyramid networks, prevalent in monatomic liquids, rapidly grow in size and form a fraction of full icosahedra during the quench from a liquid to a metallic glass state, providing a possible new picture of structural evolution through the glass transition.

Yuan, Yakun↗

DOE OSTI2024

Assessment of effective elastic constants of U-10Mo fuel microstructures

Monolithic U-10Mo fuel undergoes significant microstructural changes during fuel burnup which degrades its mechanical properties. In this talk, we present results form a numerical method to assess the impact of the various microstructural features--grains, intragranular and intergranular Xe gas bubbles--on the elastic stiffness tensor. Using the Multiphysics Object-Oriented Simulation Environment (MOOSE), phase-field-based microstructures are combined with asymptotic expansion homogenization method to obtain effective elastic constants as a function of porosity and fission density. The results are verified and compared against analytical homogenization models. With this approach, elastic degradation in operating nuclear fuels can be quantified when the distributions of microstructural features are known from experimental characterization or rate-theory based models. We further develop an evolution model based on the virial equation of state for Xe gas and investigate the effect of growth and coalescence of the bubbles at the grain boundary faces and triple junctions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Constraints on Dynamical Dark Energy from Multiple Probes in the Full Dark Energy Survey

We present results on dark energy evolution, assuming a time-dependent equation of state $w(a)=w_0+w_a(1-a)$, from growth and geometric probes using the full six-year Dark Energy Survey dataset: type Ia supernovae, baryon acoustic oscillations, and weak gravitational lensing and galaxy clustering (3$\times$2pt). The combination yields $w_0=-0.84^{+0.10}_{-0.10}$ and $w_a=-0.44^{+0.60}_{-0.55}$, the tightest constraints ever obtained from a single survey, with $2.2σ$ deviation from a cosmological constant. Adding the DESI DR2 BAO data yields $w_0=-0.84^{+0.06}_{-0.07}$ and $w_a=-0.53^{+0.33}_{-0.28}$, representing the most stringent low-redshift-only test of dynamical dark energy to date, with a $2.3σ$ deviation. In this combination, adding 3$\times$2pt doubles the constraining power. Finally, when combined with primary CMB information, we obtain $w_0=-0.82^{+0.05}_{-0.05}$, $w_a=-0.63^{+0.21}_{-0.18}$, with a $3.0σ$ deviation. We find that including 3$\times$2pt in the previously studied SN + DESI BAO + CMB combination leaves the significance essentially unchanged ($3.2 σ$ to $3.0σ$) while improving the figure of merit by $\sim$10%. We systematically investigate the impact of leaving out each one of the probes and find that the significance of the deviation from a cosmological constant ranges from 2.3 to 3.2$σ$, with best-fit parameters consistently in the region $w_0 >-1$ and $w_a <0$. Excluding SN from the all data combination yields a $2.6σ$ departure from $Λ$CDM, providing a cross-check independent of supernova photometric calibration. These results support the weak preference for evolving dark energy reported by several recent cosmological analyses. By combining growth and geometric probes from a single survey, this work realizes the multi-probe dark energy program envisioned at the inception of DES.

Abbott, T. M.C. [Cerro-Tololo InterAmerican Obs.] ↗

DOE OSTI2023

Observing the onset of pressure-driven K-shell delocalization

The gravitational pressure in many astrophysical objects exceeds one gigabar (one billion atmospheres), creating extreme conditions where the distance between nuclei approaches the size of the K shell. This close proximity modifies these tightly bound states and, above a certain pressure, drives them into a delocalized state. Both processes substantially affect the equation of state and radiation transport and, therefore, the structure and evolution of these objects. Still, our understanding of this transition is far from satisfactory and experimental data are sparse. Here, in this work, we report on experiments that create and diagnose matter at pressures exceeding three gigabars at the National Ignition Facility where 184 laser beams imploded a beryllium shell. Bright X-ray flashes enable precision radiography and X-ray Thomson scattering that reveal both the macroscopic conditions and the microscopic states. The data show clear signs of quantum-degenerate electrons in states reaching 30 times compression, and a temperature of around two million kelvins. At the most extreme conditions, we observe strongly reduced elastic scattering, which mainly originates from K-shell electrons. We attribute this reduction to the onset of delocalization of the remaining K-shell electron. With this interpretation, the ion charge inferred from the scattering data agrees well with ab initio simulations, but it is significantly higher than widely used analytical models predict.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Dynamic Ligand Surface Chemistry of Excited PbS Quantum Dots

The ligand shell around colloidal quantum dots mediates the electron and energy transfer processes that underpin their use in optoelectronic and photocatalytic applications. In this work, we show that the surface chemistry of carboxylate anchoring groups of oleate ligands passivating PbS quantum dots undergoes significant changes when the quantum dots are excited to their excitonic states. Additionally, we directly probe the changes of surface chemistry using time-resolved mid-infrared spectroscopy that records the evolution of the vibrational frequencies of carboxylate groups following excitation of the electronic states. The data reveal a reduction of the Pb-O coordination of carboxylate anchoring groups to lead atoms at the quantum dot surfaces. The dynamic surface chemistry of the ligands may increase their surface mobility in the excited state and enhance the ability of molecular species to penetrate the ligand shell to undergo energy and charge transfer processes that depend sensitively on distance.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Magnetic Ground State Crossover in a Series of Glaserite Systems with Triangular Magnetic Lattices

The magnetic properties are reported for three members of the glaserite series of compounds, Na 2 BaM(VO 4 ) 2 , M = Mn, Mn 0.6 Co 0.4 , and Co. Large single crystals are grown using a high-temperature hydrothermal synthesis method. This structure type exhibits a triangular magnetic lattice in which M 2+ O 6 octahedra are interconnected with nonmagnetic (VO 4 ) 3– groups. All the structures crystallize at room temperature with rigid trigonal symmetry (space group $P\bar{3m}1$); however, at lower temperatures both Na 2 BaMn(VO 4 ) 2 and Na 2 BaMn 0.6 Co 0.4 (VO 4 ) 2 undergo a structural transition to lower symmetry (monoclinic, C2/c). The bulk magnetic measurements indicate that Mn- and Co-structures are antiferromagnetic and ferromagnetic, respectively. Na 2 BaMn 0.6 Co 0.4 (VO 4 ) 2 does not show any long-range ordering down to 0.5 K, although a broad heat capacity anomaly near 1.2 K suggests short-range magnetic order or freezing into a spin-glass-like state related to the chemical disorder and resulting competing magnetic interactions. The magnetic structures of Na 2 BaMn(VO 4 ) 2 and Na 2 BaCo(VO 4 ) 2 were determined using neutron powder diffraction. At zero magnetic field, Na 2 BaMn(VO 4 ) 2 possesses an antiferromagnetic structure with the moments ordered in a Néel-type arrangement and aligned along the C 4 axis of the octahedra. Under applied magnetic field at 0.3 K, the evolution of the magnetic structure toward a fully polarized state is observed. Na 2 BaCo(VO 4 ) 2 represents a ferromagnetic (FM) magnetic structure with Co moments aligned parallel to the c-axis direction. Finally, the relationships between these structures and magnetic properties are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Intrinsic charm and the 𝐷 + − 𝐷 − asymmetry produced in proton-proton collisions

We investigate the contribution of the charm-anticharm (𝑐⁢$\overline{𝑐}$) asymmetry of the proton eigenstate obtained from QCD lattice gauge to the asymmetry of 𝐷 + , 𝐷 − and 𝐷 0 , $\overline{𝐷}$ 0 mesons produced in 𝑝⁢𝑝 collisions at large Feynman variables 𝑥. It is shown that an important tool for establishing the intrinsic charm (IC) content of the proton is the charm hadron-antihadron asymmetry formed in 𝑝⁢𝑝 collisions. Predictions for the asymmetry as a function of 𝑥 for different IC probabilities are presented. We show that the interference of the intrinsic |𝑢⁢𝑢⁢𝑑⁢𝑐⁢$\overline{𝑐}$⟩ Fock state with the standard contribution from the perturbative QCD evolution leads to a large 𝐷 + ⁢𝐷 − asymmetry at large Feynman 𝑥.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1992

A first-order global model of Late Cenozoic climatic change: Orbital forcing as a pacemaker of the ice ages

The development of a theory of the evolution of the climate of the earth over millions of years can be subdivided into three fundamental, nested, problems: (1) to establish by equilibrium climate models (e.g., general circulation models) the diagnostic relations, valid at any time, between the fast-response climate variables (i.e., the 'weather statistics') and both the prescribed external radiative forcing and the prescribed distribution of the slow response variables (e.g., the ice sheets and shelves, the deep ocean state, and the atmospheric CO2 concentration); (2) to construct, by an essentially inductive process, a model of the time-dependent evolution of the slow-response climatic variables over time scales longer than the damping times of these variables but shorter than the time scale of tectonic changes in the boundary conditions (e.g., altered geography and elevation of the continents, slow outgassing, and weathering) and ultra-slow astronomical changes such as in the solar radiative output; and (3) to determine the nature of these ultra-slow processes and their effects on the evolution of the equilibrium state of the climatic system about which the above time-dependent variations occur. All three problems are discussed in the context of the theory of the Quaternary climate, which will be incomplete unless it is embedded in a more general theory for the fuller Cenozoic that can accommodate the onset of the ice-age fluctuations. We construct a simple mathematical model for the Late Cenozoic climatic changes based on the hypothesis that forced and free variations of the concentration of atmospheric greenhouse gases (notably CO2), coupled with changes in the deep ocean state and ice mass, under the additional 'pacemaking' influence of earth-orbital forcing, are primary determinants of the climate state over this period. Our goal is to illustrate how a single model governing both very long term variations and higher frequency oscillatory variations in the Pleistocene can be formulated with relatively few adjustable parameters.

Saltzman, Barry↗

DOE OSTI2022

Ultrafast branching in intersystem crossing dynamics revealed by coherent vibrational wavepacket motions in a bimetallic Pt($\mathrm{II}$) complex

Ultrafast excited-state processes of transition metal complexes (TMCs) are governed by complicated interplays between electronic and nuclear dynamics, which demand a detailed understanding to achieve optimal functionalities of photoactive TMC-based materials for many applications. Here, in this work, we investigated a cyclometalated platinum(II) dimer known to undergo a Pt-Pt bond contraction in metal-metal-to-ligand-charge-transfer (MMLCT) excited state using femtosecond broadband transient absorption (fs-BBTA) spectroscopy in combination with geometry optimization and normal mode calculations. Using sub-20 fs pump and broadband probe pulses in fs-BBTA spectroscopy, we are able to correlate coherent vibrational wavepacket (CVWP) evolution with stimulated emission (SE) dynamics of the 1 MMLCT state. The results demonstrated that the 145 cm -1 CVWP motions with the damping times of ~ 0.9 ps and ~ 2 ps originate from coherent Pt-Pt stretching vibrations in the singlet and triplet MMLCT states, respectively. On the basis of excited-state potential energy surface calculations in our previous work, we rationalized that the CVWP transfer from Franck-Condon (FC) state to the 3 MMLCT state was mediated by a triplet ligand-centered ( 3 LC) intermediate state through two step intersystem crossing (ISC) on a time scale shorter than a period of the Pt-Pt stretching wavepacket motions. Moreover, it was found that the CVWP motion with 110 cm-1 frequency decays with the damping time of ~ 0.2 ps, well matching the time constant of 0.253 ps corresponding to a redshift in the SE feature at early time. This observation indicates that the Pt-Pt bond contraction changes the stretching frequency from 110 to 145 cm -1 and stabilize the 1 MMLCT state relative to the 3 LC state with the ~ 0.2 ps time scale. Thus, the ultrafast ISC from the 1 MMLCT to the 3 LC states occurs before the Pt-Pt bond shortening. The findings herein provide insight into understanding the impact of Pt-Pt bond contraction on ultrafast branching of the 1 MMLCT population into the direct ( 1 MMLCT → 3 MMLCT) and indirect ISC pathways ( 1 MMLCT → 3 LC → 3 MMLCT) in the Pt(II) dimer. These results revealed intricate excited state electronic and nuclear motions that could steer the reaction pathways with levels of details that have not achieved before

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Identification of a new isomeric state in 76 Zn following the β decay of 76 Cu

Background: The evolution of nuclear shell structure far from stability can be explored by identifying and measuring the properties of isomers. Neutron-rich nuclei between the Z = 28 and Z = 50 closed shells have been the subject of recent studies which have identified a number of 0.1 - 10 µs isomers and measured detailed spectroscopic properties. Purpose: The purpose of this analysis was to identify and measure the properties of short-lived isomeric states populated following β decay in Z ≈ 30, N ≈ 50 nuclei near the doubly magic nucleus 78 Ni. Methods: Here, radioactive ions produced by beam fragmentation at the National Superconducting Cyclotron Laboratory were implanted into a CeBr 3 scintillator coupled to a pixelated photomultiplier tube. Ancillary arrays of HPGe clover and LaBr 3 detectors were positioned around the implantation detector to measure β-delayed γ rays. Results: The previously observed 2634-keV level in 76 Zn, populated following the β decay of 76 Cu, was identified as isomeric with a half-life of 25.4(4) ns. A combination of timing and γ-ray spectroscopy was used to confirm this assignment. Shell-model calculations were performed and indicate that this state may be a high-spin negativeparity state formed by the occupation of the ν0g 9/2 orbital. Conclusions: A new isomeric state in 76 Zn has been identified and its half-life was measured. Ambiguity about the structure of this state could be resolved with further experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Impacts of phase state and water content on secondary organic aerosol formation and partitioning (Final Technical Report)

Secondary organic aerosols (SOA) account for a major fraction of particulate matter in the atmosphere, affecting climate, air quality, and public health. SOA formation and evolution are highly complex processes involving both chemical reactions and transport of molecules in air, at particle surfaces, and within particles. The state of the matter, or “phase state,” comprising SOA can vary from a liquid, over an amorphous semi-solid, to a glassy solid, depending on chemical composition, water content, relative humidity (RH), and temperature. The occurrence of glassy and amorphous semi-solid states can pose limitations on the rate of transport of molecules, affecting gas-particle interactions and challenging the treatment of SOA in atmospheric models. The objective of this project was to improve fundamental understanding of the interplay of the phase state of particles and water content on the evolution of SOA formation. We have developed a method to estimate the glass transition temperature (T g ) of organic compounds to predict the phase state and viscosity of SOA. This method has been applied to high resolution mass spectrometry data of various types of SOA, achieving a good agreement with viscosity measurements. In addition, the viscosity estimation method was implemented into a regional model CMAQ to simulate diel and seasonal variations of SOA phase state over the U.S. Applying kinetic multilayer modeling, we analyzed laboratory experiments and ARM field measurements (e.g., HI-SCALE) on kinetic limitations of amine uptake. We have also conducted numerical simulations to estimate equilibration timescales of SOA partitioning. Overall, we have evaluated the impacts of phase state and water content on SOA lifecycle that should contribute to reducing the uncertainty of SOA representation in regional climate and air quality predictions. The project has yielded 17 publications, in which DE-SC0018349 is explicitly acknowledged. Please see the list of publications as below, followed by summary of research activities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Probing coherent electronic superpositions of singly and doubly excited states of krypton with extreme-ultraviolet four-wave-mixing spectroscopy

Radiative nonlinear four-wave mixing can monitor the evolution of electronic wave packets, providing access to lifetimes and quantifying the light-induced couplings between excited states. In this article, we report the observation of quantum beats in an autoionizing electronic wave packet in krypton, probed using this technique. Analysis of the signal reveals that these beats originate from the contribution of previously unassigned, doubly excited states interacting with singly excited ones. We introduce a minimal theoretical model, based on multichannel quantum-defect theory, which quantitatively reproduces both the wave-packet dynamics and the static spectrum. This work combines a versatile, noncommensurate XUV-IR-based experimental scheme with a tractable model, establishing a powerful approach for the metrology and control of complex, correlated electronic states.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Nanoscale visualization of the thermally driven evolution of antiferromagnetic domains in FeTe thin films

Antiferromagnetic order, being a ground state of a number of exotic quantum materials, is of immense interest both from the fundamental physics perspective and for driving potential technological applications. For a complete understanding of antiferromagnetism in materials, nanoscale visualization of antiferromagnetic domains, domain walls, and their robustness to external perturbations is highly desirable. Here, we synthesize antiferromagnetic FeTe thin films using molecular-beam epitaxy. We visualize local antiferromagnetic ordering and domain formation using spin-polarized scanning tunneling microscopy. From the atomically resolved scanning tunneling microscopy topographs, we calculate local structural distortions to find a high correlation with the distribution of the antiferromagnetic order. This is consistent with the monoclinic structure in the antiferromagnetic state. Interestingly, we observe a substantial domain-wall change by small temperature variations, unexpected for the low-temperature changes used compared to the much higher antiferromagnetic ordering temperature of FeTe. This is in contrast to electronic nematic domains in the cousin FeSe multilayer films, where we find no electronic or structural change within the same temperature range. Further, our experiments provide the atomic-scale imaging of perturbation-driven magnetic domain evolution simultaneous with the ensuing structural response of the system. The results reveal surprising thermally driven modulations of antiferromagnetic domains in FeTe thin films well below the Néel temperature.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Partial Surface Selenization of Cobalt Sulfide Microspheres for Enhancing the Hydrogen Evolution Reaction

Electrocatalysis of water is a scalable and easily available source of the production of hydrogen (H 2 ), the future energy carrier. This drive for clean energy inspired us to develop an inexpensive, readily producible, highly active, and stable catalyst to replace current state of the art platinum catalysts. Building on the promising hydrogen evolution reaction (HER) activity of many pyrites, their structural tuning by different metals and nonmetals has been found to be effective in several instances. We present here one such effort by partial surface selenization of mesoporous cobalt sulfide material, which displayed long-term operational stability (for at least 25 h) besides attaining a current density of 100 mA cm –2 at an overpotential of 160 mV versus the reversible hydrogen electrode (RHE) (in acidic media). A low Tafel slope (of 52 mV dec –1 ) and high exchange current density ( j 0 ) (of 70 μA cm –2 ) make our catalyst better to most existing systems. More importantly, using a variety of analytical techniques, electrochemical measurements, and theoretical calculations, we have analyzed the morphology of the material and rationalized the key to the enhanced intrinsic activity (as compared to the meso-CoS 2 ) per active site. This study is expected to explain similar systems and modify approaches to enhancing the electrochemical activity of metal chalcogenides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Numerical simulation of solar coronal magnetic fields

Many aspects of solar activity are believed to be due to the stressing of the coronal magnetic field by footpoint motions at the photosphere. The results are presented of a fully spectral numerical simulation which is the first 3-D time dependent simulation of footpoint stressing in a geometry appropriate for the corona. An arcade is considered that is initially current-free and impose a smooth footpoint motion that produces a twist in the field of approx 2 pi. The footprints were fixed and the evolution was followed until the field relaxes to another current-free state. No evidence was seen for any instability, either ideal or resistive and no evidence for current sheet formation. The most striking feature of the evolution is that in response to photospheric motions, the field expands rapidly upward to minimize the stress. The expansion has two important effects. First, it suppresses the development of dips in the field that could support dense, cool material. For the motions assumed, the magnetic field does not develop a geometry suitable for prominence formation. Second, the expansion inhibits ideal instabilities such as kinking. The results indicate that simple stearing of a single arcade is unlikely to lead to solar activity such as flares or prominences. Effects are discussed that might possibly lead to such activity.

Dahlburg, Russell B.↗

DOE OSTI2024

LevSeq: Rapid Generation of Sequence-Function Data for Directed Evolution and Machine Learning

Sequence-function data provides valuable information about the protein functional landscape but is rarely obtained during directed evolution campaigns. Here, we present Long-read every variant Sequencing (LevSeq), a pipeline that combines a dual barcoding strategy with nanopore sequencing to rapidly generate sequence-function data for entire protein-coding genes. LevSeq integrates into existing protein engineering workflows and comes with open-source software for data analysis and visualization. The pipeline facilitates data-driven protein engineering by consolidating sequence-function data to inform directed evolution and provide the requisite data for machine learning-guided protein engineering (MLPE). LevSeq enables quality control of mutagenesis libraries prior to screening, which reduces time and resource costs. Simulation studies demonstrate LevSeq’s ability to accurately detect variants under various experimental conditions. Lastly, we show LevSeq’s utility in engineering protoglobins for new-to-nature chemistry. Widespread adoption of LevSeq and sharing of the data will enhance our understanding of protein sequence-function landscapes and empower data-driven directed evolution.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Charge radii in covariant density functional theory: A global view

A systematic global investigation of differential charge radii has been performed within the CDFT framework for the first time. Theoretical results obtained with conventional covariant energy density functionals and the separable pairing interaction of Tian et al. [Phys. Lett. B 676, 44 (2009)] are compared with experimental differential charge radii in the regions of the nuclear chart in which available experimental data crosses the neutron shell closures at N=28,50,82, and 126. The analysis of absolute differential radii of different isotopic chains and their relative properties indicate clearly that such properties are reasonably well described in model calculations in the cases when the mean-field approximation is justified. However, while the observed clusterization of differential charge radii of different isotopic chains is well described above the N=50 and N=126 shell closures, it is more difficult to reproduce it above the N=28 and N=82 shell closures because of possible deficiencies in the underlying single-particle structure. The impact of the latter has been evaluated for spherical shapes and it was shown that the relative energies of the single-particle states and the patterns of their occupation with increasing neutron number have an appreciable impact on the evolution of the δ$\langle$r2$\rangle$N,N' values. These factors also limit the predictive power of model calculations in the regions of high densities of the single-particle states of different origin. It is shown that the kinks in the charge radii at neutron shell closures are due to the underlying single-particle structure and due to weakening or collapse of pairing at these closures. The regions of the nuclear chart in which the correlations beyond mean field are expected to have an impact on charge radii are indicated; the analysis shows that the assignment of a calculated excited prolate minimum to the experimental ground state allows us to understand the trends of the evolution of differential charge radii with neutron number in many cases of shape coexistence even at the mean-field level. It is usually assumed that pairing is a dominant contributor to odd-even staggering (OES) in charge radii. Our analysis paints a more complicated picture. It suggests a new mechanism in which the fragmentation of the single-particle content of the ground state in odd-mass nuclei due to particle-vibration coupling provides a significant contribution to OES in charge radii.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗