2022 ION GNSS+ Paper: A Monitor for Correlated Kalman Filter Innovations.
Abstract not provided.
Haydon, Tucker↗
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Transverse energy-energy correlators in the color-glass condensate at the electron-ion collider
We investigate the transverse energy-energy correlators (TEEC) in the small- x regime at the upcoming Electron-Ion Collider (EIC). Focusing on the back-to-back production of electron-hadron pairs in both e p and e A collisions, we establish a factorization formula given in terms of the hard function, quark distributions, soft functions, and TEEC jet functions, where the gluon saturation effect is incorporated. Numerical results for TEEC in both e p and e A collisions are presented, together with the nuclear modification factor R A . Our analysis reveals that TEEC observables in deep inelastic scattering provide a valuable approach for probing gluon saturation phenomena. Our findings underscore the significance of measuring TEEC at the EIC, emphasizing its efficacy in advancing our understanding of gluon saturation and nuclear modifications in high-energy collisions. Published by the American Physical Society 2024
Astronomy & Astrophysics↗
Nuclear charge radii of Na isotopes: Interplay of atomic and nuclear theory
The accuracy of atomic theory calculations limits the extraction of nuclear charge radii from isotope shift measurements of odd-proton nuclei. For Na isotopes, though precise spectroscopic measurements have existed for more than half a century, calculations by different methods offer a wide range of values. Here, we present accurate atomic calculations to reliably extract the Na charge radii. By combining experimental matter radii with nuclear coupled-cluster calculations based on nucleon-nucleon and three-nucleon forces, we constrain the parameters obtained from the atomic calculations. Furthermore, this study guides atomic theory and highlights the importance of using accurate atomic and nuclear computations in our understanding of the size of light nuclei.
20 ≤ A ≤ 38↗
Detecting anomalous C P violation in heavy-ion collisions through baryon-electric charge correlations
The chiral magnetic effect and the chiral vortical effect induce a correlation between baryon and electric currents. Here we show that this correlation can be detected using a new observable: a mixed baryon-electric charge correlator. This correlator is proportional to the baryon asymmetry, suggesting a novel way to separate the chiral effects from the background in heavy-ion collisions.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Planar laser-induced fluorescence system for spatiotemporal ion velocity distribution function measurements
In this work, we present a planar laser-induced fluorescence (PLIF) system for measuring two-dimensional (2D), spatiotemporally resolved ion velocity distribution functions (IVDFs). A continuous-wave tunable diode laser produces a laser sheet that irradiates the plasma, and the resulting fluorescence is captured by an intensified CCD (ICCD) camera. Fluorescence images recorded at varying laser wavelengths are converted into 2D IVDFs using the Doppler shift principle. The developed diagnostic is implemented in an electron beam generated E × B plasma with a bulk plasma density of $\sim\!\!{10^{10}}{\text{c}}{{\text{m}}^{ - 3}}$ . The developed diagnostic is validated against a conventional single-point LIF method using photomultiplier tube-based detection, while significantly reducing the total measurement time by the number of spatial positions measured. The time-resolving capability of this diagnostic is tested by oscillating the plasma between two nominal operating modes with different density profiles and triggering the ICCD camera by the externally driven plasma oscillation. The measured 2D IVDF maps reveal several signatures of ion dynamics in this plasma source, including radially outflowing ions across the electric field and anomalous ion heating at the periphery, consistent with recent kinetic simulations and theoretical studies. A possible correlation between these ion kinetic features and rotating spoke structures is discussed.
E×B plasma↗
Tracking the evolution from isolated dimers to many-body entanglement in $\mathrm{NaLu}_x \mathrm{Yb}_{1-x}\mathrm{Se_2}$
Here, we synthesize homogeneous compositions of NaLu x Yb 1-x Se 2 , connecting nonmagnetic NaLuSe 2 to the triangular lattice spin liquid candidate NaYbSe 2 . Thermal and magnetic properties are studied as the system evolves from one with dilute magnetic defects to one of a dense magnetic lattice. The field- and temperature-dependent heat capacity show the carriers of entropy cross over from isolated magnetic ions to a correlated lattice born from spin dimers. For the dilute system we estimate the single-ion anisotropy (g ⟂ /g ∥ =3.13) and also the dimer exchange couplings J ⟂ (=5.4 K) and J ⟂ (=9.6 K), in order to draw comparison to the half-doped and full magnetic compounds.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Metal–bicarbonate ion pairing in alkaline aqueous solutions from multilevel embedded correlated wavefunction theory and molecular dynamics
In this work, we examine ion-pairing mechanisms of bicarbonates in alkaline aqueous solutions with the divalent metal ions most abundantly present in seawater, namely, Ca 2+ and Mg 2+ . We employ a rare-event enhanced sampling approach within first-principles molecular dynamics to explore regions of phase space spanning solvent-shared to contact ion pairs. Second-order Møller–Plesset perturbation theory (MP2) corrections are subsequently applied in an embedding framework (EMB) to refine the electronic structure of stationary states and associated reaction barriers along the free-energy profiles while retaining the extended solvent effects at the density functional theory (DFT) level. Ca 2+ –HCO 3 − was previously hypothesized to exist in a solvent-shared ion pair (SSHIP) by DFT studies with an endergonic contact ion pair (CIP) formation; however, our EMB-MP2 refinement of the DFT ion-pairing pathways reveals that Ca 2+ and HCO 3 − form a virtually barrier-free CIP in alkaline solutions, with even more energetic ease than the widely studied Ca–CO 3 ion pair. We find qualitative agreement between DFT and EMB-MP2 for Mg 2+ —unlike Ca 2+ , Mg 2+ refuses to shed its strong hydration shell, thereby preferring a SSHIP state with a significant activation barrier to crossover to the CIP forms—a trait reminiscent of ion pairing in Mg–CO 3 and closely related to the kinetic limitations underlying the famous subject of the dolomite problem. Our study highlights the importance of improved electronic structure descriptions of liquids, modeled as a condensed phase of matter lacking in long-range crystalline order. It also strongly suggests that Ca 2+ –HCO 3 − CIPs are likely precursors involved in prenucleation of CaCO 3 mineral formation in seawater.
Sharma, Vidushi [Princeton Plasma Physics Laborato↗
Microstructure Scale Lithium-Ion Battery Modeling: Part III. When and Where Lithium Plating Occurs and its Correlation with the Electrode Microstructure
Li-ion battery performance and degradation are closely related to the cell’s underlying electrode microstructure. Electrode microstructures are typically characterized with volume-averaged properties that neglect the impact of local heterogeneities. However, local heterogeneities create hot spots that can trigger degradation onset. Herein, a microstructure scale electrochemical model is used to investigate the impact of microstructure heterogeneity on lithium plating. The model predicts lithium plating is not uniform, even when considering a relatively small portion of the electrode (a cross-sectional area of 154×144 µm 2 ), preferring to plate on larger particles as compared to smaller particles. While local heterogeneities control where plating occurs, the model predicts that volume-averaged properties control when plating occurs. Additionally, the model predicts that the active material specific surface area has a linear relationship with the plating onset. However, the linear relationship between increased active material surface area and delayed plating response appears to be sensitive to the microstructure feature used to increase the active interface area. Here, a comparative case-study is explored where the specific surface area is increased by either reducing the active material particle diameter, adding open-porosity cracks, or increasing the active material surface roughness. The model predicts that increasing the specific surface area by reducing the active material particle diameter is the most effective strategy for delaying lithium plating. At 6C, reducing particle size is shown to be 3 and 20 times more effective than, respectively, adding open-porosity cracks and increasing surface roughness. A dual-layer electrode architecture combining gradations both for average properties and uniformities is eventually proposed to improve homogeneous material utilization and reduce degradation at high charge rates.
25 ENERGY STORAGE↗
Exploring orbital angular momentum and spin-orbit correlations for gluons at the Electron-Ion Collider
In our previous work [S. Bhattacharya , ], we introduced a pioneering observable aimed at experimentally detecting the orbital angular momentum (OAM) of gluons. Our focus was on the longitudinal double spin asymmetry observed in exclusive dijet production during electron-proton scattering. We demonstrated the sensitivity of the cos ϕ angular correlation between the scattered electron and proton as a probe for gluon OAM at small x and its intricate interplay with gluon helicity. This current work provides a comprehensive exposition, diving further into the aforementioned calculation with added elaboration and in-depth analysis. We reveal that, in addition to the gluon OAM, one also gains access to the spin-orbit correlation of gluons. We supplement our work with a detailed numerical analysis of our observables for the kinematics of the Electron-Ion Collider. In addition to dijet production, we also consider the recently proposed semi-inclusive diffractive deep inelastic scattering process, which potentially offers experimental advantages over dijet measurements. Finally, we investigate quark-channel contributions to these processes and find an unexpected breakdown of collinear factorization. Published by the American Physical Society 2025
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte
Predictive knowledge of ion transport in electrolytes which bridges microscopic and macroscopic length scales is imperative to design new ion conductors and to simulate device performance. Here, we employed a novel approach combining operando X-ray photon correlation spectroscopy, X-ray absorption microscopy, continuum modelling, and molecular dynamics simulations to probe the ion transport in a baseline polymeric lithium-ion battery electrolyte. In a Li/PEO–LiTFSI/Li symmetric cell under polarization, we determined and rationalized microscopic properties including local electrolyte velocities and ion correlations and connected this insight to measured and simulated macroscopic ion concentration gradients. By relating our results across length scales, we suggest a fairly concentration-independent transference number of about 0.2. Our study shows the broad applicability of operando X-ray photon correlation spectroscopy to the understanding of dynamic phenomena.
25 ENERGY STORAGE↗
Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of low fundamental frequency biases
The use of non-sinusoidal waveforms in low pressure capacitively coupled plasmas intended for microelectronics fabrication has the goal of customizing ion and electron energy and angular distributions to the wafer. One such non-sinusoidal waveform uses the sum of consecutive harmonics of a fundamental sinusoidal frequency, f 0 , having a variable phase offset between the fundamental and even harmonics. In this paper, we discuss results from a computational investigation of the relation between ion energy and DC self-bias when varying the fundamental frequency f 0 for capacitively coupled plasmas sustained in Ar/CF 4 /O 2 and how those trends translate to a high aspect ratio etching of trenches in SiO 2 . The fundamental frequency, f 0 , was varied from 1 to 10 MHz and the relative phase from 0° to 180°. Two distinct regimes were identified. Average ion energy onto the wafer is strongly correlated with the DC self-bias at high f 0 , with there being a maximum at φ = 0° and minimum at φ = 180°. In the low frequency regime, this correlation is weak. Average ion energy onto the wafer is instead dominated by dynamic transients in the applied voltage waveforms, with a maximum at φ = 180° and minimum at φ = 0°. The trends in ion energy translate to etch properties. In both, the high and low frequency regimes, higher ion energies translate to higher etch rates and generally preferable final features, though behaving differently with phase angle.
36 MATERIALS SCIENCE↗
When should PIC simulations be applied to atmospheric pressure plasmas? Impact of correlation heating
Abstract Molecular dynamics simulations are used to test when the particle-in-cell (PIC) method applies to atmospheric pressure plasmas. It is found that PIC applies only when the plasma density and macroparticle weight are sufficiently small because of two effects associated with correlation heating. The first is the physical effect of disorder-induced heating (DIH). This occurs if the plasma density is large enough that a species (typically ions) is strongly correlated in the sense that the Coulomb coupling parameter exceeds one. In this situation, DIH causes ions to rapidly heat following ionization. PIC is not well suited to capture DIH because doing so requires using a macroparticle weight of one and a grid that well resolves the physical interparticle spacing. These criteria render PIC intractable for macroscale domains. The second effect is a numerical error due to artificial correlation heating (ACH). ACH is like DIH in that it is caused by the Coulomb repulsion between particles, but differs in that it is a numerical effect caused by a macroparticle weight larger than one. Like DIH, it is associated with strong correlations. However, here the macroparticle coupling strength is found to scale as Γ w 2 / 3 , where Γ is the physical coupling strength and w is the macroparticle weight. So even if the physical coupling strength of a species is small, as is expected for electrons in atmospheric pressure plasmas, a sufficiently large macroparticle weight can cause the macroparticles to be strongly coupled and therefore heat due to ACH. Furthermore, it is shown that simulations in reduced dimensions exacerbate these issues.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Correlations of baryon and charge stopping in heavy ion collisions*
Baryon numbers are theorized to be carried by valence quarks in the standard QCD picture of the baryon structure. Another theory proposed an alternative baryon number carrier, a non-perturbative Y-shaped configuration of the gluon field, called the baryon junction in the 1970s. However, neither of these theories has been verified experimentally. Recently, searching for the baryon junction by investigating the correlation of net-charge and net-baryon yields at midrapidity in heavy-ion collisions has been suggested. Here, this paper presents studies of such correlations in collisions of various heavy ions from oxygen to uranium with the UrQMD Monte Carlo model. The UrQMD model implements valence quark transport as the primary means of charge and baryon stopping at midrapidity. Detailed studies are also conducted for isobaric $_{40}^{96}{\rm{Zr}}$ + $_{40}^{96}{\rm{Zr}}$ and $_{44}^{96}{\rm{Ru}}$ + $_{44}^{96}{\rm{Ru}}$ collisions. We found a universal trend of charge stopping with respect to baryon stopping and discovered that the charge stopping is always greater than the baryon stopping. This study provides a model baseline in valence quark transport for what is expected in net-charge and net-baryon yields at the midrapidity of relativistic heavy-ion collisions.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
The nature of dynamic local order in CH 3 NH 3 PbI 3 and CH 3 NH 3 PbBr 3
Hybrid organic-inorganic lead-halide perovskites (LHPs) are a class of semiconductors with remarkable properties relevant to optoelectronic applications. The structure-property-function relationship in LHPs, however, is poorly understood, leading to incomplete descriptions of optoelectronic properties and a persistent problem of device degradation due to ion migration. Here, we reveal the true structure to contain an assembly of dynamic, two-dimensional short-range structural correlations in the lead-halide octahedral sublattice, with additional correlations between organic molecules. Here, we propose that these correlations are the origin of large-amplitude halide displacements, which govern charge carrier mobility and the sharpness of the absorption edge. Correlations between organic molecules may introduce regions of transient ferroelectricity or antiferroelectricity, which increase charge carrier lifetime. Finally, the correlations introduce an ion diffusion barrier that is static on the timescale of diffusive jumps.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Projections of two-particle correlations onto transverse rapidity in Au+Au collisions at $\sqrt{s_{NN}}$ = 200 GeV at STAR
Two-particle correlation measurements projected onto two-dimensional, transverse rapidity coordinates (y T1 ,y T2 ), allow access to dynamical properties of the QCD medium produced in relativistic heavy-ion collisions that angular correlation measurements are not sensitive to. Here, we report non-identified charged-particle correlations for Au + Au minimum-bias collisions at $\sqrt{s_{NN}}$ = 200 GeV taken by the STAR experiment at the Relativistic Heavy-Ion Collider (RHIC). Correlations are presented as 2D functions of transverse rapidity for like-sign, unlike-sign and all charged-particle pairs, as well as for particle pairs whose relative azimuthal angles lie on the near-side, the away-side, or at all relative azimuth. The correlations are constructed using charged particles with transverse momentum p T ≥ 0.15 GeV/c, pseudorapidity from –1 to 1, and azimuthal angles from –π to π. The significant correlation structures that are observed evolve smoothly with collision centrality. The major correlation features include a saddle shape plus a broad peak with maximum near y T ≈ 3, corresponding to p T ≈ 1.5 GeV/c. The broad peak is observed in both like- and unlike-sign charge combinations and in near- and away-side relative azimuthal angles. The all-charge, all-azimuth correlation measurements are compared with the theoretical predictions of HIJING and EPOS. The results indicate that the correlations for peripheral to mid-central collisions can be approximately described as a superposition of nucleon + nucleon collisions with minimal effects from the QCD medium. Strong medium effects are indicated in mid- to most-central collisions.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Elucidating the Molecular Origins of the Transference Number in Battery Electrolytes Using Computer Simulations
The rate at which rechargeable batteries can be charged and discharged is governed by the selective transport of the working ions through the electrolyte. Conductivity, the parameter commonly used to characterize ion transport in electrolytes, reflects the mobility of both cations and anions. The transference number, a parameter introduced over a century ago, sheds light on the relative rates of cation and anion transport. This parameter is, not surprisingly, affected by cation–cation, anion–anion, and cation–anion correlations. In addition, it is affected by correlations between the ions and neutral solvent molecules. Computer simulations have the potential to provide insights into the nature of these correlations. We review the dominant theoretical approaches used to predict the transference number from simulations by using a model univalent lithium electrolyte. In electrolytes of low concentration, one can obtain a quantitative model by assuming that the solution is made up of discrete ion-containing clusters–neutral ion pairs, negatively and positively charged triplets, neutral quadruplets, and so on. These clusters can be identified in simulations using simple algorithms, provided their lifetimes are sufficiently long. In concentrated electrolytes, more clusters are short-lived and more rigorous approaches that account for all correlations are necessary to quantify transference. Elucidating the molecular origin of the transference number in this limit remains an unmet challenge.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Beam-energy dependence of identified two-particle angular correlations in $\sqrt{S_{NN}} = 7.7 – 200$ GeV Au + Au collisions
The two-particle angular correlation functions, $R_2$ , of pions, kaons, and protons in Au + Au collisions at $\sqrt{S_{NN}}$ = 7.7 , 11.5 , 14.5 , 19.6 , 27 , 39 , 62.4 , and 200 GeV were measured by the STAR experiment at the BNL Relativistic Heavy Ion Collider. These correlations were measured for both like-sign and unlike-sign charge combinations and versus the centrality. The correlations of pions and kaons show the expected near-side (i.e., at small relative angles) peak resulting from short-range mechanisms. The amplitudes of these short-range correlations decrease with increasing beam energy. However, the proton correlation functions exhibit strong anticorrelations in the near-side region. This behavior is observed for the first time in an A + A collision system. The observed anticorrelation is $p_T$ independent and decreases with increasing beam energy and centrality. The experimental results are also compared to the Monte Carlo models UrQMD, Hijing, and AMPT.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries
Multivalent battery chemistries have been explored in response to the increasing demand for high-energy rechargeable batteries utilizing sustainable resources. Solvation structures of working cations have been recognized as a key component in the design of electrolytes; however, most structure–property correlations of metal ions in organic electrolytes usually build upon favorable static solvation structures, often overlooking solvent exchange dynamics. We here report the ion solvation structures and solvent exchange rates of magnesium electrolytes in various solvents by using multimodal nuclear magnetic resonance (NMR) analysis and molecular dynamics/density functional theory (MD/DFT) calculations. These magnesium solvation structures and solvent exchange dynamics are correlated to the combined effects of several physicochemical properties of the solvents. Moreover, Mg 2+ transport and interfacial charge transfer efficiency are found to be closely correlated to the solvent exchange rate in the binary electrolytes where the solvent exchange is tunable by the fraction of diluent solvents. Our primary findings are (1) most battery-related solvents undergo ultraslow solvent exchange coordinating to Mg 2+ (with time scales ranging from 0.5 μs to 5 ms), (2) the cation transport mechanism is a mixture of vehicular and structural diffusion even at the ultraslow exchange limit (with faster solvent exchange leading to faster cation transport), and (3) an interfacial model wherein organic-rich regions facilitate desolvation and inorganic regions promote Mg 2+ transport is consistent with our NMR, electrochemistry, and cryogenic X-ray photoelectron spectroscopy (cryo-XPS) results. In conclusion, this observed ultraslow solvent exchange and its importance for ion transport and interfacial properties necessitate the judicious selection of solvents and informed design of electrolyte blends for multivalent electrolytes.
25 ENERGY STORAGE↗