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DOE OSTI2024

Discovery of orbital ordering in Bi 2 Sr 2 CaCu 2 O 8+x

The primordial ingredient of cuprate superconductivity is the CuO 2 unit cell. Theories usually concentrate on the intra-atom Coulombic interactions dominating the 3d 9 and 3d 10 configurations of each copper ion. However, if Coulombic interactions also occur between electrons of the 2p 6 orbitals of each planar oxygen atom, spontaneous orbital ordering may split their energy levels. This long-predicted intra-unit-cell symmetry breaking should generate an orbitally ordered phase, for which the charge transfer energy ε separating the 2p 6 and 3d 10 orbitals is distinct for the two oxygen atoms. Here we introduce sublattice-resolved ε(r) imaging to CuO 2 studies and discover intra-unit-cell rotational symmetry breaking of ε(r). Spatially, this state is arranged in disordered Ising domains of orthogonally oriented orbital order bounded by dopant ions, and within whose domain walls low-energy electronic quadrupolar two-level systems occur. Overall, these data reveal a Q = 0 orbitally ordered state that splits the oxygen energy levels by ~50 meV, in underdoped CuO 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Probing New Bosons and Nuclear Structure with Ytterbium Isotope Shifts

In this Letter, we present mass-ratio measurements on highly charged Yb 42+ ions with a precision of 4 ×10 -12 and isotope-shift measurements on Yb + on the 2 S 1/2 → 2 D 5/2 and 2 S 1/2 → 2 F 7/2 transitions with a precision of 4 ×10 -9 for the isotopes 168,170,172,174,176 Yb. We present a new method that allows us to extract higher-order changes in the nuclear charge distribution along the Yb isotope chain, benchmarking ab initio nuclear structure calculations. Additionally, we perform a King plot analysis to set bounds on a fifth force in the keV/c 2 to MeV/c 2 range coupling to electrons and neutrons.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1976

Experimental investigation of the excess charge and time constant of minority carriers in the thin diffused layer of 0.1 Ohm-cm silicon solar cells

The observed low open-circuit voltage in 0.1 Ohm-cm solar cells is probably related to an excessively high diode saturation current. Theoretical studies conducted by Lindholm et al. (1975) and by Godlewski et al. (1975) have shown that a high saturation current could be produced by either high recombination rates or bandgap narrowing effects. A description is given of an investigation which shows that bandgap narrowing effects have a first order significance in determining the charge carrier transport controlling the open-circuit voltage of 0.1 Ohm-cm silicon solar cells.

Godlewski, M. P.↗

NASA NTRS2009

Design Analysis of the Ares 1 Pogo Accumulator

Several accumulator designs and gas charge systems are considered in order to suppress POGO within the Ares I vehicle Upper Stage Liquid Ox ygen System. The thermodynamic and flow analysis completed to evaluat e candidate designs are presented and the results are used to evaluat e the ability of each concept to meet the levied suppression requirements. One annular accumulator design meets all suppression requirement s while also providing manufacturability and operability advantages. Of the two proposed charge systems to provide and maintain gas within the accumulator, a passive level control design meets the charge req uirements and maximizes reliability.

Swanson, Luke A.↗

DOE OSTI2021

Charged Bosons Made of Fermions in Bilayer Structures with Strong Metallic Screening

Two-dimensional monolayer structures of transition metal dichalogenides (TMDs) have been shown to allow many higher-order excitonic bound states, including trions (charged excitons), biexcitons (excitonic molecules), and charged biexcitons. Here, we report here experimental evidence and the theoretical basis for a new bound excitonic complex, consisting of two free carriers bound to an exciton in a bilayer structure. Our experimental measurements on structures made using two different materials show a new spectral line at the predicted energy with two different TMD materials (MoSe 2 and WSe 2 ) with both n- and p-doping, if and only if all the required theoretical conditions for this complex are fulfilled, in particular, only in the presence of a parallel metal layer that significantly screens the repulsive interaction between the like-charge carriers. Because these four-carrier bound states are charged bosons, they could eventually be the basis for a new path to superconductivity without Cooper pairing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Conservative Binary Dynamics at Order 𝛼 5 in Electrodynamics

We compute the potential-photon contributions to the classical relativistic scattering angle of two charged nonspinning bodies in electrodynamics through fifth order in the coupling. We use the scattering amplitudes framework, effective field theory, and multiloop integration techniques based on integration by parts and differential equations. At fifth order, the result is expressed in terms of cyclotomic polylogarithms. Our calculation demonstrates the feasibility of the corresponding calculations in general relativity, including the evaluation of the encountered four-loop integrals.

classical electromagnetism↗

DOE OSTI2024

Measurement of forward charged hadron flow harmonics in peripheral PbPb collisions at s N N = 5.02 TeV with the LHCb detector

Flow harmonic coefficients, v n , which are the key to studying the hydrodynamics of the quark-gluon plasma (QGP) created in heavy-ion collisions, have been measured in various collision systems and kinematic regions and using various particle species. The study of flow harmonics in a wide pseudorapidity range is particularly valuable to understand the temperature dependence of the shear viscosity to entropy density ratio of the QGP. This paper presents the first LHCb results of the second- and the third-order flow harmonic coefficients of charged hadrons as a function of transverse momentum in the forward region, corresponding to pseudorapidities between 2.0 and 4.9, using the data collected from PbPb collisions in 2018 at a center-of-mass energy of 5.02 TeV . The coefficients measured using the two-particle angular correlation analysis method are smaller than the central-pseudorapidity measurements at ALICE and ATLAS from the same collision system but share similar features. ©2024 CERN, for the LHCb Collaboration 2024 CERN

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Gauge-symmetrization method for energy-momentum tensors in high-order electromagnetic field theories

For electromagnetic field theories, canonical energy-momentum conservation laws can be derived from the underpinning spacetime translation symmetry according to the Noether procedure. However, the canonical energy-momentum tensors (EMTs) are neither symmetric nor gauge-symmetric (gauge invariant). The Belinfante-Rosenfeld (BR) method is a well-known procedure to symmetrize the EMTs, which also renders them gauge symmetric for first-order field theories. High-order electromagnetic field theories appear in the study of gyrokinetic systems for magnetized plasmas and the Podolsky system for the radiation reaction of classical charged particles. For these high-order field theories, gauge-symmetric EMTs are not necessarily symmetric and vice versa. In the present study, we develop a new gauge-symmetrization method for EMTs in high-order electromagnetic field theories. The Noether procedure is carried out using the Faraday tensor $F_{μν}$, instead of the 4-potential $A_{μ}$, to derive a canonical EMT $T^{μν}_{N}$. We show that the gauge-dependent part of $T^{μν}_{N}$ can be removed using the displacement-potential tensor $F^{σμν}$ ≡ $D^{σμ}A^{ν}/4π$, where $D^{σμ}$ is the antisymmetric electric displacement tensor. This method gauge-symmetrizes the EMT without necessarily making it symmetric, which is adequate for applications not involving general relativity. For first-order electromagnetic field theories, such as the standard Maxwell system, $F^{σμν}$ reduces to the familiar BR superpotential $S^{σμν}$, and the method developed can be used as a simpler procedure to calculate $S^{σμν}$ without employing the angular momentum tensor in 4D spacetime. When the electromagnetic system is coupled to classical charged particles, the gauge-symmetrization method for EMTs is shown to be effective as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Recognition competes with hydration in anion-triggered monolayer formation of cyanostar supra-amphiphiles at aqueous interfaces

The triggered self-assembly of surfactants into organized layers at aqueous interfaces is important for creating adaptive nanosystems and understanding selective ion extraction. While these transformations require molecular recognition, the underlying driving forces are modified by the local environment in ways that are not well understood. Herein, we investigate the role of ion binding and ion hydration using cyanosurf, which is composed of the cyanostar macrocycle, and its binding to anions that are either size-matched or mis-matched and either weakly or highly hydrated. We utilize the supra-amphiphile concept where anion binding converts cyanosurf into a charged and amphiphilic complex triggering its self-organization into monolayers at the air–water interface. Initially, cyanosurf forms aggregates at the surface of a pure water solution. When the weakly hydrated and size-matched hexafluorophosphate (PF 6 - ) and perchlorate (ClO 4 - ) anions are added, the macrocycles form distinct monolayer architectures. Surface-pressure isotherms reveal significant reorganization of the surface-active molecules upon anion binding while infrared reflection absorption spectroscopy show the ion-bound complexes are well ordered at the interface. Vibrational sum frequency generation spectroscopy shows the water molecules in the interfacial region are highly ordered in response to the charged monolayer of cyanosurf complexes. Consistent with the importance of recognition, we find the smaller mis-matched chloride does not trigger the transformation. However, the size-matched phosphate (H 2 PO 4 - ) also does not trigger monolayer formation indicating hydration inhibits its interfacial binding. These studies reveal how anion-selective recognition and hydration both control the binding and thus the switching of a responsive molecular interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Negative string tension of a higher-charge Schwinger model via digital quantum simulation

We study some properties of generalized global symmetry for the charge- q Schwinger model in the Hamiltonian formalism, which is the (1 + 1)D quantum electrodynamics with a charge- q Dirac fermion. This model has the |$\mathbb {Z}_q\, 1$| -form symmetry, which is a remnant of the electric |$U(1)\, 1$| -form symmetry in the pure Maxwell theory. It is known that, if we put the theory on closed space, then the Hilbert space is decomposed into q distinct sectors, called universes, and some states with higher energy density do not decay to the ground state due to the selection rule of the 1-form symmetry. Even with open boundaries, we can observe the stability of such states by seeing a negative string tension behavior, meaning that opposite charges repel each other. In order to see negative string tensions, the vacuum angle θ has to be large enough and the standard path-integral Monte Carlo method suffers from the sign problem. We develop a method based on the adiabatic state preparation to see this feature with digital quantum simulation and confirm it using a classical simulator of quantum devices. In particular, we measure the local energy density and see how it jumps between the inside and outside of the insertion of the probe charges. We explicitly see that the energy density inside is lower than that outside. This is a clear signature of the negative string tension.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Effect of Humidity on Charge Decay in Varying Atmospheric Gases

Characterization of surface charge decay for varying materials – PTFE, Acrylic, and metals – of 100 mm diameter, radially symmetric bodies was performed. In a gaseous environment, charged materials will lose their charge depending on gas type, humidity, and other environmental factors. Eventually, the charge will be (1) neutralized by ions or electrons in the surrounding gas (2) distributed by conduction on the material surface or in its volume (3) or neutralized by ions or electrons in the material surface and volume. Metal and polymer samples are charged to a known potential in the tens of kilovolts range, and the decaying voltage is monitored with a non-contact probe until the potential reaches near zero. Humidity has an impact on both groups of materials. As a baseline, in air at 42% relative humidity in an enclosed chamber, a positive charge equivalent to 20 kV potential on a metal sphere of 50 mm radius decays to near zero within 25 minutes. In contrast, the same sphere negatively charged decays slightly faster within 20 minutes. Overall, the humidity has a significant effect on the charge decay time, such that an order of magnitude longer times (hours) are observed at low humidity. Effects of chamber size were also studied, drawing a connection to charge carriers in the air available for decay, with chambers of volume(s): 3.3 105 cm3 and 1.4 106 cm3, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Status and perspectives of cLFV at Mu2e

Flavor physics offers a promising way to explore fundamental aspects of the standard model, such asthe mass hierarchy and electroweak symmetry breaking. Within this field, Charged Lepton FlavorViolation (CLFV) stands out as a phenomenon that is strongly suppressed in the Standard Model,making it an excellent probe for potential new physics. Ongoing CLFV experiments, includingMu2e, COMET, MEG, and Mu3e, are preparing for data collection in the coming decade. Amongthe possible searches in the muon sector (𝜇 → 𝑒𝛾, mu3e and muon conversion), two muonconversion experiments will start taking data in few years: Mu2e at Fermilab and COMET atJPArk. Both of them aim to improve the current sensitivity by several orders of magnitude. Thisviolation of charged lepton flavor presents an opportunity to explore novel physics on a scale notcurrently accessible through direct searches at contemporary or planned high-energy colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Lowest-order QED radiative corrections in unpolarized elastic electron–deuteron scattering beyond the ultra-relativistic limit for the proposed deuteron charge radius measurement at Jefferson laboratory

Analogous to the well-known proton charge radius puzzle, a similar puzzle exists for the deuteron charge radius, r d . There are discrepancies observed in the results of r d , measured from electron-deuteron (e - d) scattering experiments, as well as from atomic spectroscopy. In order to help resolve the charge radius puzzle of the deuteron, the PRad collaboration at Jefferson Lab has proposed an experiment for measuring r d , named DRad. This experiment is designed to measure the unpolarized elastic e - d scattering cross section in a low-Q 2 region. To extract the cross section with a high precision, having reliable knowledge of QED radiative corrections is important. Here, in this paper, we present complete numerical calculations of the lowest-order radiative corrections in e - d scattering for the DRad kinematics. The calculations have been performed within a covariant formalism and beyond the ultra-relativistic approximation ($m^2_e$ $\ll$ Q 2 ). Besides, we present a systematic uncertainty on r d arising from higher-order radiative corrections, estimated based on our cross-section results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2006

Working Group Reports and Presentations: Cis-lunar

Space agencies are committed to the "safe, sustained, affordable human and robotic exploration of the Moon, Mars, and beyond." However, we recommend that they explicitly define our ultimate goal and motivation in order to portray a sense of purpose to the public. Our goal is sustainable human settlement of the Moon and Mars and our motivation is to preserve the human race. All secondary exploration and science objectives flow from this main goal and are still imperative to our success. As an economic guiding principle, governments should be limited to those areas where only government can perform the activity and should recognize and coordinate with the larger private and military sectors. Also, space agencies must continue to fund the interdisciplinary science necessary to characterize environmental hazards associated with dust, radiation, surface charging, topology, and meteorites in order to make our first attempts at extraterrestrial living viable.

Laubscher, Bryan↗

DOE OSTI2026

Effect of Magnetic Fields on LArTPCs, ArCS

ArCS is implementing magnetic fields to LarTPC detectors in order to develope their ability to do charge separation. This poster shows two algorithms that take simulated LarTPC detectors with magnetic fields, and compares their performance as a function of magnetic field and momentum in order to establish what field is needed for charge separation to work well.

Lopez, Alex [U. Chicago (main)]↗

DOE OSTI2026

Tunable Nanoscale Structure via Divalent Ion Identity in Charged-Neutral Polymer Blends

Charged-neutral polymer blends, wherein an ioncontaining polymer is blended with a neutral polymer, are potential candidates for battery electrolytes due to their improved ion transport properties and electrochemical stability. Though electrostatic interactions in charged polymer blends can theoretically stabilize ordered nanostructures analogous to those observed in neutral block copolymers, direct experimental evidence remains limited. Here, we investigate the effects of divalent cation identity on the nanoscale morphology of charged-neutral polymer blends composed of poly(ethylene oxide) (PEO) and Mg 2+ or Ca 2+ ioncontaining polymers, poly[3-(methylacryloxy)propylsulfonyl-1-(trifluoromethanesulfonylimide)] (P(Mg(MTFSI) 2 ) or P(Ca- (MTFSI) 2 ). By tuning the size of the divalent counterion, we are able to precisely tune the ion solvation between the free cation and PEO, which acts as a solvent in this system. Differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) measurements reveal that Mg 2+ and Ca 2+ ions induce distinct structural behavior. In both systems, the blends become more miscible as the concentration of ion-containing polymer is increased indicated by increased suppression of PEO crystallinity. At the highest concentrations of P(Mg(MTFSI) 2 ), the blends undergo microphase separation and generate nanostructures with shortranged ordering. In contrast, calcium ions, which are more readily solvated by PEO, produce more homogeneous blends characterized by a single glass-transition temperature and featureless SAXS data. The results demonstrate the novel experimental confirmation that charged-neutral polymer blends can undergo microphase separation and show that counterion identity can be exploited as a design parameter to control nanoscale morphology.

Ions↗

DOE OSTI2022

Stochastic Vector Techniques in Ground-State Electronic Structure

Herein we review a suite of stochastic vector computational approaches for studying the electronic structure of extended condensed matter systems. These techniques help reduce algorithmic complexity, facilitate efficient parallelization, simplify computational tasks, accelerate calculations, and diminish memory requirements. While their scope is vast, we limit our study to ground-state and finite temperature density functional theory (DFT) and second-order many-body perturbation theory. More advanced topics, such as quasiparticle (charge) and optical (neutral) excitations and higher-order processes, are covered elsewhere. We start by explaining how to use stochastic vectors in computations, characterizing the associated statistical errors. Next, we show how to estimate the electron density in DFT and discuss effective techniques to reduce statistical errors. Finally, we review the use of stochastic vectors for calculating correlation energies within the second-order Møller-Plesset perturbation theory and its finite temperature variational form. Example calculation results are presented and used to demonstrate the efficacy of the methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

A Closer Look at Solar Wind Sputtering of Lunar Surface Materials

Solar-wind induced potential sputtering of the lunar surface may be a more efficient erosive mechanism than the "standard" kinetic (or physical) sputtering. This is partly based on new but limited laboratory measurements which show marked enhancements in the sputter yields of slow-moving, highly-charged ions impacting oxides. The enhancements seen in the laboratory can be orders of magnitude for some surfaces and highly charged incident ions, but seem to depend very sensitively on the properties of the impacted surface in addition to the fluence, energy and charge of the impacting ion. For oxides, potential sputtering yields are markedly enhanced and sputtered species, especially hydrogen and light ions, show marked dependence on both charge and dose.

Barghouty, A. F.↗