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DOE OSTI2025

General signals for charged lepton flavor violating decays

We explore the most general phenomenology of charged lepton flavor violating (CLFV) decays of muon and tau leptons to the three body final states ($\bar{e}ee, \bar{μ}μμ, \bar{e}μμ, \bar{μ}μe, \bar{μ}ee, \bar{e}eμ$). By constructing a complete basis of operators at each dimension, we derive the most general amplitudes for these decay processes. By considering constraints from unitarity and Large Electron-Positron Collider (LEP), we show that operators of mass dimension 6 and 7 are the most likely to be observed in next generation experiments. Focusing on these dimensions, we compute the results of unpolarized (spin-averaged) decays parametrized in terms of the invariant masses of the daughter particles. We also compute the differential decay rates for polarized decays, in anticipation of the experimental search Mu3e, which expects to have a muon beam with ∼ 90% polarization, and the chiral Belle proposal, which aims to have a 70% polarized electron beam. To determine the extent to which the operators may be distinguished experimentally, we plot the differential distributions for each operator, showing that they leave only a few possible degenerate explanations. Through a statistical analysis, we estimate the number of events needed to break the degeneracies using the angular information. These results are adapted to treat ℓ → ℓ′⁢$v\bar{v}$, where the angular distribution of the outgoing charged lepton has enhanced distinguishing power. With many Standard Model extensions predicting these CLFV decays, these results will better enable upcoming searches to identify and/or constrain physics beyond the Standard Model.

phenomenology↗

NASA NTRS1981

A model for the enantiomeric enrichment of polypeptides on the primitive earth

A potential model is presented for the origin of optical activity in polypeptides on the primitive earth due to enantiomeric enrichment in succeeding polymerization-hydrolysis cycles. The model was developed in experiments with the polymerization of a DL-leucine N-carboxyanhydride mixture with a 31.2% enantiomeric excess of the L isomer with sodium methoxide initiator to yield a polyleucine product which was in turn partially hydrolyzed by acid. The polymerization-hydrolysis was found to produce a net 23.8% increase in the enantiomeric excess of the remaining unhydrolyzed polypeptide (14.2% from the polymerization and 9.6% from the partial hydrolysis). On the basis of these results, it is suggested that a slight excess produced by an appropriate chiral physical process may be enhanced by cycles of stereoselective polymerization and hydrolysis driven by fluctuating wet and dry environmental cycles on the primitive earth.

Blair, N. E.↗

DOE OSTI2024

Gold–Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential

Monolayer protected metal clusters comprise a rich class of molecular systems and are promising candidate materials for a variety of applications. While a growing number of protected nanoclusters have been synthesized and characterized in crystalline forms, their dynamical behavior in solution, including prenucleation cluster formation, is not well understood due to limitations both in characterization and first-principles modeling techniques. Recent advancements in machine-learned interatomic potentials are rapidly enabling the study of complex interactions such as dynamical behavior and reactivity on the nanoscale. Here, we develop an Au-S-C-H atomic cluster expansion (ACE) interatomic potential for efficient and accurate molecular dynamics simulations of thiolate-protected gold nanoclusters (Au n (SCH 3 ) m ). Trained on more than 30,000 density functional theory calculations of gold nanoclusters, the interatomic potential exhibits ab initio level accuracy in energies and forces and replicates nanocluster dynamics including thermal vibration and chiral inversion. Long dynamics simulations (up to 0.1 μs time scale) reveal a mechanism explaining the thermal instability of neutral Au 25 (SR) 18 clusters. Specifically, we observe multiple stages of isomerization of the Au 25 (SR) 18 cluster, including a chiral isomer. Additionally, we simulate coalescence of two Au 25 (SR) 18 clusters and observe series of clusters where the formation mechanisms are critically mediated by ligand exchange in the form of [Au-S] n rings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2004

Kinematic Treatment of CME Evolution in the Solar Wind

We present a kinematic study of the evolution of coronal mass ejections (CMEs) in the solar wind. Specifically, we consider the effects of: (1) spherical expansion; and (2) uniform expansion due to pressure gradients between the Interplanetary CME (ICME) and the ambient solar wind. We compare these results with an MHD model, which allows us to isolate these effects from the combined kinematic and dynamical effects, which are included in MHD models. They also provide compelling evidence that the fundamental cross section of so-called "force-free" flux ropes (or magnetic clouds) is neither circular or elliptical, but rather a convex-outward, "pancake" shape. We apply a force-free fitting to the magnetic vectors from the MHD simulation to assess how the distortion of the flux rope affects the fitting. In spite of these limitations, force-free fittings, which are straightforward to apply, do provide an important description of a number of parameters, including the radial dimension, orientation and chirality of the ICME.

Riley, Pete↗

NASA NTRS2004

KINEMATIC TREATMENT OF CORONAL MASS EJECTION EVOLUTION IN THE SOLAR WIND

We present a kinematic study of the evolution of coronal mass ejections (CMEs) in the solar wind. Specifically, we consider the effects of (1) spherical expansion and (2) uniform expansion due to pressure gradients between the interplanetary CME (ICME) and the ambient solar wind. We compare these results with an MHD model that allows us to isolate these effects h m the combined kinematic and dynamical effects, which are included in MHD models. They also provide compelling evidence that the fundamental cross section of so-called "force-free" flux ropes (or magnetic clouds) is neither circular or elliptical, but rather a convex-outward, "pancake" shape. We apply a force-free fit to the magnetic vectors from the MHD simulation to assess how the distortion of the flux rope affects the fit. In spite of these limitations, force-free fits, which are straightforward to apply, do provide an important description of a number of parameters, including the radial dimension, orientation, and chirality of the ICME. Subject headings: MHD - solar wind - Sun: activity - Sun: corona - Sun: coronal mass ejections (CMEs) - On-line material color figures Sun: magnetic fields

Riley, Pete↗

DOE OSTI2025

Geometric transport signatures of strained multi-Weyl semimetals

The minimal coupling of strain to Dirac and Weyl semimetals, and its modeling as a pseudogauge field has been extensively studied, resulting in several proposed topological transport signatures. In this work, we study the effects of strain on higher winding number Weyl semimetals and show that strain is not a pseudogauge field for any winding number larger than one. Here we focus on the double-Weyl semimetal as an illustrative example to show that the application of strain splits the higher winding number Weyl nodes and produces an anisotropic Fermi surface. Specifically, the Fermi surface of the double-Weyl semimetal acquires nematic order. By extending chiral kinetic theory for such nematic fields, we determine the effective gauge fields acting on the system and show how strain induces anisotropy and affects the geometry of the semiclassical phase space of the double-Weyl semimetal. Further, the strain-induced deformation of the Weyl nodes results in transport signatures related to the covariant coupling of the strain tensor to the geometric tensor associated with the Weyl nodes giving rise to strain-dependent dissipative corrections to the longitudinal as well as the Hall conductance. Thus, by extension, we show that in multi-Weyl semimetals, strain produces geometric signatures rather than topological signatures. Further, we highlight that the most general way to view strain is as a symmetry-breaking field rather than a pseudogauge field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2001

Modeling Ballistic Current Flow in Carbon Nanotube Wires

Experiments have shown carbon nanotubes (CNT) to be almost perfect conductors at small applied biases. The features of the CNT band structure, large velocity of the crossing subbands and the small number of modes that an electron close to the band center / Fermi energy can scatter into, are the reasons for the near perfect small bias conductance. We show that the CNT band structure does not help at large applied biases - electrons injected into the non crossing subbands can either be Bragg reflected or undergo Zener-type tunneling. This limits the current carrying capacity of CNT. We point out that the current carrying capacity of semiconductor quantum wires in the ballistic limit is different, owing to its band structure. The second aspect addressed is the relationship of nanotube chirality in determining the physics of metal-nanotube coupling. We show that a metallic-zigzag nanotube couples better than an armchair nanotube to a metal contact. This arises because in the case of armchair nanotubes, while the pi band couples well, the pi* band does not couple well to the metal. In the case of zigzag nanotube both crossing modes couple reasonably well to the metal. Many factors such as the role of curvature, strain and defects will play a role in determining the suitability of nanotubes as nanowires. From the limited view point of metal-nanotube coupling, we feel that metallic-zigzag nanotubes are preferable to armchair nanotubes.

Anantram, M. P.↗

NASA NTRS2010

Poynting Robertson Battery and the Chiral Magnetic Fields of AGN Jets

We propose that the magnetic fields in the accretion disks of active galactic nuclei (AGNs) are generated by azimuthal electric currents due to the difference between the plasma electron and ion velocities that arises when the electrons are retarded by interactions with the AGN photons (the Poynting Robertson battery). This process provides a unique relation between the polarity of the poloidal B field to the angular velocity Omega of the accretion disk (B is parallel to Omega), a relation absent in the more popular dynamo B-field generation. This then leads to a unique direction for the toroidal B field induced by disk rotation. Observations of the toroidal fields of 29 AGN jets revealed by parsec-scale Faraday rotation measurements show a clear asymmetry that is consistent with this model, with the probability that this asymmetry comes about by chance being approx.0.06 %. This lends support to the hypothesis that the universe is seeded by B fields that are generated in AGNs via this mechanism and subsequently injected into intergalactic space by the jet outflows.

Kazanas, Demosthenes↗

DOE OSTI2026

Inverse Lieb materials: altermagnetism and more

The Lieb lattice, originally proposed for cuprate superconductors, has gained new attention in the emerging field of altermagnetism as a minimal analytical model for the latter. While the inverse Lieb lattice (ILL) was once considered purely theoretical, several materials with this motif have recently been discovered. Its unique geometry supports complex magnetic orders driven by geometric frustration, offering high tunability. In this work, we provide comprehensive insights into ILL magnetic phases and establish guidelines for identifying altermagnets. Using a Heisenberg model, we first construct phase diagrams to elucidate the mechanisms underlying experimental magnetic phases. We then bridge theory and experiment via density functional theory (DFT) calculations on existing ILL compounds, finding results consistent with experimental data. Notably, we identified a trend linking d-shell filling to magnetic order, where d x (x≤5) configurations show a propensity for altermagnetism. We also highlight Sr 2 CrO 2 Cr 2 OAs 2 as a promising metallic altermagnet with highly anisotropic J 2 exchange and a high Néel temperature (~600 K). Finally, our magnon spectra calculations confirm that chiral splittings correlate directly with anisotropies between inequivalent J 2 interactions.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Control over Banded Morphologies and Circular Dichroism in Chiral Halide Perovskites

Chiral halide perovskites (c-HPs) merge the chirality of organic cations with the semiconducting properties of metal halide frameworks, creating a family of chiral semiconductors with tunable chiroptoelectronic behavior. Here, we describe the impact of periodic banded morphologies of textured c-HP ( R/S -NEA) 2 PbBr 4 films (NEA = 1- (1-naphthyl)ethylammonium) on their chiroptical behavior. Due to the interplay between the crystalline and glassy phases, the c-HP film growth is driven by rhythmic precipitation, producing a distinctive controllable radial banded pattern with the ( R/S -NEA) 2 PbBr 4 inorganic planes oriented parallel to the substrate. The banded morphology can be controlled, as evidenced by the growth temperature dictating the ridge-to-ridge spacing as well as the density of banded regions. The resulting circular dichroism (CD) spectral shape, intensity, and polarity vary in a seemingly random manner across processing conditions. However, these spectral features can be explained by considering key features of the banded morphology, such as refraction of the incident light due to surface morphology, birefringence, and stacked, rotated crystallites. These effects cannot be canceled by averaging front and back CD spectra of c-HP films, and our model incorporating these effects reproduces all observed CD spectra remarkably well. The control over the c-HP morphology and prediction capabilities of our CD modeling leads to further understanding of this class of semiconductors and the possibility of exploiting structural features for light polarization control akin to enhanced metamaterials.

14 SOLAR ENERGY↗

DOE OSTI2025

Investigating event-shape methods in the search for the chiral magnetic effect in relativistic heavy ion collisions

The chiral magnetic effect (CME) is a phenomenon in which electric charge is separated by a strong magnetic field from local domains of chirality imbalance and parity violation in quantum chromodynamics. The CME-sensitive observable, the charge-dependent three-point azimuthal correlator Δ⁢𝛾 , is contaminated by a major physics background proportional to the particle's elliptic flow anisotropy 𝑣 2 . Event-shape engineering (ESE) binning events in dynamical fluctuations of 𝑣 2 and event-shape selection (ESS) binning events in statistical fluctuations of 𝑣 2 are two methods to search for the CME by projecting Δ⁢𝛾 to the measured anisotropy 𝑣 2 = 0 intercept. Here, we conduct a systematic study of these two methods using physics models as well as toy model simulations. It is observed that the ESE method fulfills the general premise of measuring the CME but is statistically hungry. It is found that the intercept from the ESS method depends on the details of the event content, such as the mixtures of background-contributing sources, because of statistical fluctuations of intertwining variables used in the method, and is thus not practically useful to measure the CME.

Relativistic heavy-ion collisions↗

DOE OSTI2026

Conservation laws and effective hadronization models

Hadronization models based on local string-breaking dynamics are typically Markovian by construction, yet the physical ensemble of final states is shaped by global constraints that couple the entire fragmentation trajectory. Recasting hadronization as a conditioned stochastic diffusion process provides a precise mathematical resolution to this tension. In particular, this language reveals explicitly that constraints stemming from conservation laws induce non-Markovian correlations between otherwise independent fragmentation steps, and that these correlations can be absorbed exactly into a renormalization of the local dynamics through a Doob $h$-transform. We develop this formalism for a $q\bar{q}$ string in the chiral limit, where the longitudinal-transverse factorization of the Lund kernel becomes exact, enabling systematic power counting and clean ultraviolet (UV)/infrared (IR) separation. The dynamics organize naturally into a tower of effective theories distinguished by the remaining string mass, spanning a UV fixed point with scale-invariant transport coefficients, an intermediate regime where transverse phase space induces controlled running, and an IR boundary layer where non-local effects enter at leading order. The tower exhibits genuine Wilsonian structure, including $β$-functions, anomalous dimensions, and systematic matching conditions. The resulting framework achieves a clean factorization of universal microscopic fragmentation dynamics from infrared constraint effects, and opens new directions for both the theoretical analysis and practical simulation of hadronization.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗

NASA NTRS1999

Coupling of Carbon Nanotubes to Metallic Contacts

The modeling of carbon nanotube-metal contacts is important from both basic and applied view points. For many applications, it is important to design contacts such that the transmission is dictated by intrinsic properties of the nanotube rather than by details of the contact. In this paper, we calculate the electron transmission probability from a nanotube to a free electron metal, which is side-contacted. If the metal-nanotube interface is sufficiently ordered, we find that k-vector conservation plays an important role in determining the coupling, with the physics depending on the area of contact, tube diameter, and chirality. The main results of this paper are: (1) conductance scales with contact length, a phenomena that has been observed in experiments and (2) in the case of uniform coupling between metal and nanotube, the threshold value of the metal Fermi wave vector (below which coupling is insignificant) depends on chirality. Disorder and small phase coherence length relax the need for k-vector conservation, thereby making the coupling stronger.

Anantram, M. P.↗

DOE OSTI2021

Nonlinear nanoelectrodynamics of a Weyl metal

Chiral Weyl fermions with linear energy-momentum dispersion in the bulk accompanied by Fermi-arc states on the surfaces prompt a host of enticing optical effects. While new Weyl semimetal materials keep emerging, the available optical probes are limited. In particular, isolating bulk and surface electrodynamics in Weyl conductors remains a challenge. We devised an approach to the problem based on near-field photocurrent imaging at the nanoscale and applied this technique to a prototypical Weyl semimetal TaIrTe 4 . As a first step, we visualized nano-photocurrent patterns in real space and demonstrated their connection to bulk nonlinear conductivity tensors through extensive modeling augmented with density functional theory calculations. Notably, our nanoscale probe gives access to not only the in-plane but also the out-of-plane electric fields so that it is feasible to interrogate all allowed nonlinear tensors including those that remained dormant in conventional far-field optics. Surface- and bulk-related nonlinear contributions are distinguished through their “symmetry fingerprints” in the photocurrent maps. Robust photocurrents also appear at mirror-symmetry breaking edges of TaIrTe 4 single crystals that we assign to nonlinear conductivity tensors forbidden in the bulk. Here, nano-photocurrent spectroscopy at the boundary reveals a strong resonance structure absent in the interior of the sample, providing evidence for elusive surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Symmetric Mass Generation

In recent years tantalizing signs for a novel phase have been reported that is chirally symmetric but nevertheless exhibits massive bound states. The necessary condition for such a phase, referred to as Symmetric Mass Generation (SMG), is the cancellation of all (continuous and discrete) 't~Hooft anomalies. In 3+1 dimensions this occurs in systems containing a multiple of 16 massless Weyl fermions. SMG was originally discovered in lower dimensional condensed matter systems. We present results investigating four dimensional field theories with gauge group SU(3). Our findings suggest that SU(3) with $N_f=8$ fundamental fermions exhibits an SMG phase not only on the lattice but also in the infinite cutoff continuum limit. If confirmed, SMG could provide a new UV completion of the standard model and give rise to new scenarios for beyond standard model physics.

Hasenfratz, Anna [U. Colorado, Boulder] (ORCID:000↗

DOE OSTI2025

Neutron stars with exceptionally light QCD axions

We present a comprehensive study of axion condensed neutron stars that arise in models of an exceptionally light axion that couples to quantum chromodynamics (QCD). These axions solve the strong-charge-parity (𝐶⁢𝑃) problem, but have a mass-squared lighter than that due to QCD by a factor of 𝜖 < 1. Inside dense matter, the axion potential is altered, and much of the matter in neutron stars resides in the axion condensed phase where the strong-𝐶⁢𝑃 parameter 𝜃 = 𝜋 and 𝐶⁢𝑃 remains a good symmetry. In these regions, masses and interactions of nucleons are modified, in turn changing the equation of state (EOS), structure, and phenomenology of the neutron stars. We take the first steps toward the study of the EOS of neutron star matter at 𝜃 = 𝜋 within chiral effective field theory and use relativistic mean field theory to deduce the resulting changes to nuclear matter and the neutron star low-density EOS. We derive constraints on the exceptionally light axion parameter space based on observations of the thermal relaxation of accreting neutron stars, isolated neutron star cooling, and pulsar glitches, excluding the region up to 5 ×10 −7 ≲ 𝜖 ≲ 0.2 for 𝑚 𝑎 ≳ 2 × 10 −9 eV. We comment on potential changes to the neutron star mass-radius relationship, and discuss the possibility of novel, nuclear-density compact objects with 𝜃 = 𝜋 that are stabilized not by gravity but by the axion potential.

axions↗

DOE OSTI2025

Effect of vector meson spin coherence on the observables for the chiral magnetic effect in heavy-ion collisions

The chiral magnetic effect (CME) in heavy-ion collisions reflects the local violation of P and CP symmetries in strong interactions and manifests as electric charge separation along the direction of the magnetic field created by the wounded nuclei. The experimental observables for the CME, such as the γ 112 correlator, the R Ψ$_2$ ⁡ (Δ⁢S) correlator, and the signed balance functions, however, are also subject to non-CME backgrounds, including those from resonance decays. A previous study showed that the CME observables are affected by the diagonal component of the spin density matrix, the ρ 00 for vector mesons. Here, in this work, we study the contributions from the other elements of the spin density matrix using a toy model and a multiphase transport model. We find that the real part of the ρ 1-1 component, Re ⁡ρ 1-1 , affects the CME observables in a manner opposite to that of the ρ 00 . All three aforementioned CME observables show a linear dependence on Re ⁡ρ 1-1 in the model calculations, supporting our analytical derivations. The rest elements of the spin density matrix do not contribute to the CME observables. The off-diagonal terms in the spin density matrix indicate spin coherence and may be nonzero in heavy-ion collisions due to local spin polarization or spin-spin correlations. Thus, Re ⁡ρ 1-1 , along with ρ 00 , could play a significant role in interpreting measurements in search of the CME.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1996

Synthesis and Characterization of a Chitosan Derivative for Electro-Optical Applications

Chitin is a naturally occurring polymer of alpha(1-4) poly N-acetylglucosamine found primarily in the shells of crustaceans and insects. This polymer is chemically and thermally stable and physically durable as a consequence of hydrogen bonding which causes the alignment and ordering of the polymer chains into microcrystals which aggregate into sheets with chiral nematic order. Industry has attempted to take advantage of chitin's properties and low cost (chitin is a waste product of the shellfish industry) to produce durable fibers and other products. This has been largely unsuccessful because of chitin's non reactivity and insolubility. Chitosan is the deacetylation product of chitin and retains many of the structural properties of chitin. Unlike chitin, chitosan is soluble in aqueous solution at reduced pH making it easier to be processed into fibers and films than chitin. Chitosan and its derivatives are now used in such commercial applications as wound dressings, waste water treatment, and in pharmaceuticals. In this study, we have synthesized a chitosan derivative, N-para-nitrophenyl chitosan (NPNPC), as a model material with potential applications in electro optics.

Prastofer, Thomas↗